%chk=000037678.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000037678

0 1
 O   -6.139900      0.7726000     -0.1049000    
 N    1.088700      -2.068400     -0.7222000    
 N   -3.920700     -0.9994000      8.6999997E-02
 C    1.352900      5.3800002E-02  0.4711000    
 C   0.3883000     -0.8123000     -0.4449000    
 C    2.678300     -0.6418000      0.1829000    
 C  -0.9920000      -1.106500      0.1297000    
 C    1.079000     -0.1550000       1.979100    
 C    2.443900      -1.837600     -0.5036000    
 C    1.333600       1.522500      2.4800001E-02
 C   -1.844600      -1.911400     -0.8504000    
 C    3.962900     -0.2621000      0.5488000    
 C   -3.213700      -2.232300     -0.2534000    
 C    2.094700      0.5810000       2.828600    
 C    3.489400      -2.692800     -0.8093000    
 C   0.5471000       2.443500      0.7108000    
 C    2.102600       1.924600      -1.063600    
 C    5.022900      -1.106200      0.2156000    
 C    4.787400      -2.314900     -0.4563000    
 C   -5.200400      -1.296500      0.7456000    
 C   -4.149500     -0.1811000      -1.111900    
 C   0.5294000       3.778000      0.3049000    
 C    2.085000       3.259000      -1.469300    
 C   -5.925400      4.1000000E-03   1.079600    
 C   -4.898400       1.093500     -0.7334000    
 C    1.298500       4.185700     -0.7852000    
 H   0.2556000     -0.3040000      -1.411400    
 H   -1.477500     -0.1544000      0.3707000    
 H  -0.9086000      -1.680000       1.060800    
 H    1.111700      -1.219900       2.246900    
 H   7.5300001E-02  0.1872000       2.254200    
 H   0.7862000      -2.721100      -1.432600    
 H   -1.362700      -2.876200      -1.051300    
 H   -1.911400      -1.416400      -1.824400    
 H    4.165300      0.6730000       1.058200    
 H   -3.788200      -2.841100     -0.9633000    
 H   -3.070100      -2.839900      0.6492000    
 H    3.002500     -1.0700000E-02   2.978900    
 H    2.373900       1.574600       2.473000    
 H    1.676700      0.7180000       3.833700    
 H    3.313400      -3.636300      -1.315800    
 H  -8.4899999E-02   2.167500       1.547200    
 H    2.704100       1.228300      -1.639700    
 H    6.039100     -0.8285000      0.4818000    
 H    5.623000      -2.966200     -0.6984000    
 H   -5.030700      -1.856300       1.672300    
 H   -5.832900      -1.908200      8.9100003E-02
 H   -4.732800     -0.7421000      -1.853500    
 H   -3.216400      0.1425000      -1.580700    
 H  -8.7499999E-02   4.498900      0.8334000    
 H    2.678100       3.575500      -2.322300    
 H   -5.366100      0.6034000       1.808300    
 H   -6.905300     -0.2166000       1.514900    
 H   -5.122700       1.675700      -1.633000    
 H   -4.303800       1.729800     -6.6399999E-02
 H    1.282500       5.224000      -1.103000    


%chk=000037678-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000037678

0 1
O -5.808121 1.381497 -0.343124
N 1.323187 -2.347857 -0.370964
N -3.878072 -0.780007 -0.100760
C 1.429083 -0.134350 0.573948
C 0.494013 -1.110629 -0.274118
C 2.815796 -0.648438 0.138622
C -0.921514 -1.355713 0.263204
C 1.262237 -0.427979 2.105853
C 2.681200 -1.980279 -0.354260
C 1.112429 1.320582 0.191571
C -1.825715 -2.121171 -0.729500
C 4.089197 -0.069712 0.253037
C -3.308880 -2.136896 -0.290785
C 2.215913 0.354456 3.031921
C 3.811428 -2.742285 -0.724127
C 0.178293 2.101053 0.922738
C 1.674924 1.892230 -0.982001
C 5.235718 -0.818657 -0.126464
C 5.089902 -2.143270 -0.602746
C -5.167221 -0.807495 0.636753
C -4.028487 -0.019594 -1.367933
C -0.176956 3.403013 0.503208
C 1.325165 3.193111 -1.404461
C -5.647490 0.626911 0.910660
C -4.528525 1.403732 -1.071268
C 0.395087 3.958050 -0.663384
H 0.404881 -0.650319 -1.288424
H -1.402109 -0.381358 0.473494
H -0.872163 -1.912010 1.218161
H 1.419204 -1.514141 2.250669
H 0.216509 -0.226849 2.407597
H 1.002053 -3.121674 -0.954624
H -1.496979 -3.176588 -0.825181
H -1.731943 -1.673975 -1.740084
H 4.198190 0.958279 0.617714
H -3.904642 -2.731557 -1.031100
H -3.386041 -2.663271 0.681155
H 3.269966 0.098612 2.827923
H 2.099117 1.446710 2.911135
H 2.010482 0.107421 4.089976
H 3.708110 -3.766331 -1.100900
H -0.280340 1.699258 1.832488
H 2.398115 1.311594 -1.565593
H 6.231999 -0.370192 -0.050763
H 5.978932 -2.716387 -0.891538
H -5.018594 -1.335801 1.597943
H -5.959638 -1.352070 0.062469
H -4.745694 -0.527201 -2.062835
H -3.050574 0.048247 -1.878016
H -0.898622 3.983494 1.089710
H 1.779301 3.610024 -2.310889
H -4.913959 1.143687 1.567028
H -6.641696 0.631217 1.387615
H -4.729947 1.957016 -2.003342
H -3.764218 1.945479 -0.472551
H 0.123508 4.968884 -0.987958


