%chk=000003176.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000003176

0 1
 O   -4.607900      -3.235500      0.2595000    
 O   0.3077000      -2.811000      0.1430000    
 O   -8.455100      0.4917000      0.1069000    
 O    4.973100      0.3894000       2.345900    
 O   -7.682600       2.636100     -0.1476000    
 O    7.275600      0.9347000      0.9072000    
 O    7.370200      0.4700000      -1.808200    
 N  -0.4558000     -0.6575000     -0.2820000    
 N   -5.946900     -0.5431000      6.5399997E-02
 N    2.671900     -0.7157000      0.7576000    
 C   -1.556500       1.509700     -0.3402000    
 C   -2.528700      0.3612000     -0.2171000    
 C  -0.2372000      0.7699000     -0.6108000    
 C   -1.848600     -0.8662000     -0.1453000    
 C   -3.931300      0.3894000     -0.1430000    
 C   -1.492000       2.335100      0.9405000    
 C   -4.600600     -0.8268000      1.6799999E-02
 C   -2.532400      -2.062700      1.7800000E-02
 C   0.5351000      -1.633600     -0.1313000    
 C   -3.930700      -2.057300      0.1032000    
 C   -4.920900       1.409800     -0.1858000    
 C   -6.150000      0.8055000     -5.5799998E-02
 C    1.914300      -1.174100     -0.2812000    
 C    2.668000      -1.117000      -1.425400    
 C    3.921600     -0.3577000      0.3047000    
 C    3.945900     -0.6014000      -1.070200    
 C   -7.441200       1.417200     -4.1600000E-02
 C    5.021400      0.1579000      0.9997000    
 C    5.124300     -0.3177000      -1.788800    
 C    6.179300      0.4317000      0.2661000    
 C    6.232200      0.1981000      -1.106700    
 C   -9.798300      0.9879000      0.1344000    
 C    5.366200     -0.6821000       3.197700    
 C    7.116300       2.184400       1.572200    
 C    7.493400       1.779600      -2.357500    
 H   -1.815900       2.152500      -1.188500    
 H   0.6058000       1.176400     -4.3000001E-02
 H   2.2100000E-02  0.8137000      -1.676100    
 H   -2.452600       2.818100       1.147900    
 H  -0.7345000       3.121000      0.8530000    
 H   -1.239100       1.716900       1.809600    
 H   -2.014100      -3.013500      6.5399997E-02
 H   -4.747400       2.471600     -0.3004000    
 H   -6.677200      -1.233300      0.1759000    
 H    2.365200     -0.6469000       1.718500    
 H    2.342600      -1.412300      -2.414000    
 H   -3.964900      -3.964300      0.2963000    
 H    5.171900     -0.4983000      -2.859300    
 H   -10.47300      0.1366000      0.2563000    
 H   -9.931200       1.667600      0.9811000    
 H   -10.03280       1.492000     -0.8076000    
 H    5.283600     -0.3442000       4.234300    
 H    6.405300     -0.9675000       3.005300    
 H    4.708300      -1.545800       3.058300    
 H    6.932200       2.021700       2.637800    
 H    6.314700       2.790000       1.134700    
 H    8.053700       2.739900       1.473100    
 H    7.473200       2.535400      -1.566300    
 H    6.692300       1.969800      -3.078700    
 H    8.453400       1.844100      -2.877000    


%chk=000003176-Freq.chk
%nprocshared=8
%mem=21GB
#p freq=noraman PBEPBE/SDD

000003176

0 1
O -4.423060 -2.110552 2.479912
O 0.354784 -1.032327 1.706646
O -8.810701 -0.350776 0.228755
O 5.538602 -1.119207 2.060461
O -8.527078 1.229297 -1.482983
O 7.789427 -0.124842 0.522756
O 7.247520 1.402563 -1.902566
N -0.688158 0.231623 0.039349
N -6.151565 -0.583878 0.672969
N 2.836621 -0.403617 0.996004
C -2.177419 1.567260 -1.364781
C -2.926752 0.612959 -0.450181
C -0.685801 1.158059 -1.137024
C -2.040710 -0.103644 0.375345
C -4.320601 0.402214 -0.297071
C -2.441641 3.056801 -1.019373
C -4.765902 -0.533854 0.706608
C -2.477190 -1.023789 1.377815
C 0.441105 -0.256832 0.681487
C -3.856884 -1.233271 1.535684
C -5.507632 0.912866 -0.934426
C -6.608966 0.291805 -0.322375
C 1.798677 0.104646 0.197328
C 2.379041 0.808411 -0.880867
C 4.059511 -0.040500 0.459505
C 3.811118 0.727572 -0.731972
C -8.031856 0.470037 -0.615071
C 5.369649 -0.336882 0.891540
C 4.909442 1.213513 -1.488407
C 6.458052 0.181365 0.148078
C 6.220277 0.950097 -1.051673
C -10.273350 -0.260070 0.024740
C 6.155630 -2.448616 1.818133
C 8.203662 0.421826 1.838889
C 8.451513 2.015503 -1.314346
H -2.453496 1.400750 -2.423861
H -0.056947 2.038231 -0.919744
H -0.271540 0.633357 -2.017857
H -3.512907 3.303381 -1.123734
H -1.869573 3.724391 -1.690154
H -2.145826 3.271202 0.023584
H -1.731174 -1.532536 1.993830
H -5.580491 1.635654 -1.744161
H -6.752860 -1.156299 1.263160
H 2.649664 -0.956478 1.834219
H 1.865740 1.312428 -1.693571
H -3.718288 -2.549564 3.016657
H 4.775568 1.792444 -2.406190
H -10.705325 -0.958497 0.755151
H -10.621469 0.770715 0.206726
H -10.534171 -0.551968 -1.006551
H 6.230564 -2.920667 2.809584
H 7.155093 -2.336479 1.362030
H 5.507002 -3.053843 1.157536
H 7.524322 0.076026 2.637441
H 8.212640 1.528371 1.805806
H 9.223090 0.041448 2.006554
H 9.113234 1.248961 -0.880558
H 8.180567 2.762117 -0.541445
H 8.948617 2.522199 -2.156640


