%chk=000174461.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000174461

0 1
 O   -2.041100       1.315600     -0.9641000    
 O    3.620100      -1.664000     -0.1626000    
 O   -7.108600      -2.540600      0.5006000    
 O    8.549300       2.302000       1.486700    
 N   0.6562000       2.323100     -0.4108000    
 N    6.504200      -1.785200     -0.6760000    
 N    3.789400      0.6606000     -0.2441000    
 N   -1.488100     -0.5903000      0.2608000    
 N   -4.271700      -2.649400       1.048000    
 N   -6.848000     -0.5504000     -0.6175000    
 N    9.174800      0.2566000      0.4677000    
 N   -7.541300       1.956800       1.261800    
 N   -8.950900       2.694400     -0.4822000    
 C   0.2203000       1.024300     -0.3776000    
 C    2.470600       1.046800     -0.3033000    
 C    1.328400      0.2089000     -0.3107000    
 C    2.025800       2.349100     -0.3660000    
 C    5.783600     -0.7361000     -0.1676000    
 C   -1.194900      0.6159000     -0.4117000    
 C    4.313000     -0.6489000     -0.1772000    
 C   -2.712200      -1.195600      0.4261000    
 C    6.676300      0.1840000      0.3364000    
 C    7.979200     -0.3300000      0.1236000    
 C  -0.1854000       3.497500     -0.4787000    
 C    7.843200      -1.548500     -0.5041000    
 C   -4.914500      -1.658700      0.3527000    
 C   -3.968000     -0.7408000     -4.6000000E-02
 C   -2.929400      -2.377700       1.099000    
 C    5.952900      -2.965700      -1.303900    
 C   -6.364100      -1.639300      0.1108000    
 C   -8.238000     -0.4087000     -0.9591000    
 C   -9.020300      0.3517000      0.1033000    
 C   -8.482000       1.759100      0.2853000    
 C    9.371300       1.483100       1.100200    
 H    1.302000     -0.8711000     -0.2803000    
 H    2.569000       3.285100     -0.3825000    
 H    4.450200       1.433500     -0.2684000    
 H    6.409400       1.117400      0.8121000    
 H  -0.6501000       3.533800      -1.466900    
 H   0.4265000       4.391100     -0.3279000    
 H  -0.9379000       3.439300      0.3118000    
 H    8.585300      -2.261400     -0.8396000    
 H  -0.7167000      -1.085700      0.7015000    
 H   -4.162800      0.1570000     -0.6138000    
 H   -2.253600      -3.050000       1.609500    
 H   -4.717400      -3.457300       1.460900    
 H    5.452000      -3.563200     -0.5383000    
 H    5.254800      -2.657000      -2.085900    
 H    6.761600      -3.548500      -1.753000    
 H   -8.680600      -1.399300      -1.108400    
 H   -8.276400      0.1237000      -1.915800    
 H   -6.219100      0.1817000     -0.9290000    
 H   -10.07450      0.4146000     -0.1900000    
 H   -8.975800     -0.1742000       1.064200    
 H    10.00730     -0.2763000      0.2271000    
 H    10.45290       1.659200       1.230700    
 H   -7.148400       2.876100       1.433500    
 H   -7.198700       1.194600       1.837200    
 H   -8.497200       3.581000     -0.2358000    


%chk=000174461-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000174461

0 1
O -2.132345 1.658301 -0.375739
O 3.564169 -1.585507 0.075220
O -7.076087 -2.730555 -0.741699
O 8.756250 2.483209 -0.433931
N 0.700404 2.451190 -0.431320
N 6.461612 -1.895235 0.432754
N 3.871753 0.735984 -0.029052
N -1.452503 -0.572367 -0.626470
N -4.301375 -2.783406 -0.812080
N -7.099156 -0.387428 -0.671893
N 9.363063 0.255442 0.028815
N -7.241210 1.639136 1.671487
N -9.342772 2.629650 0.956222
C 0.238064 1.126980 -0.371082
C 2.520537 1.115779 -0.178071
C 1.360975 0.281469 -0.208934
C 2.084315 2.450845 -0.317971
C 5.816901 -0.681695 0.144099
C -1.197311 0.788561 -0.453914
C 4.344803 -0.572232 0.063001
C -2.726884 -1.177508 -0.678585
C 6.812742 0.303920 -0.049856
C 8.078414 -0.332753 0.130495
C -0.108748 3.671389 -0.606616
C 7.834779 -1.689520 0.429013
C -4.976996 -1.569864 -0.724433
C -4.014447 -0.542880 -0.638872
C -2.933731 -2.572309 -0.786754
C 5.828400 -3.197521 0.715234
C -6.453964 -1.610909 -0.716665
C -8.560250 -0.261981 -0.586181
C -9.055025 0.205695 0.812531
C -8.554217 1.598821 1.176193
C 9.627514 1.590230 -0.238721
H 1.385380 -0.798557 -0.090522
H 2.654986 3.377044 -0.349583
H 4.559757 1.489180 0.016957
H 6.688443 1.350767 -0.315549
H -0.737832 3.592293 -1.506911
H 0.575734 4.529992 -0.706263
H -0.778612 3.820395 0.254182
H 8.528879 -2.502367 0.634699
H -0.645174 -1.188507 -0.733835
H -4.167940 0.530056 -0.562091
H -2.216991 -3.388760 -0.841613
H -4.807273 -3.669048 -0.872579
H 5.125376 -3.111560 1.558367
H 5.257606 -3.548254 -0.157957
H 6.621718 -3.921452 0.965011
H -8.978594 -1.257876 -0.810087
H -8.915965 0.452893 -1.350752
H -6.540584 0.468003 -0.663127
H -10.155813 0.251030 0.793273
H -8.747646 -0.538182 1.571570
H 10.169949 -0.357638 0.165267
H 10.721671 1.796420 -0.263800
H -6.823166 2.520602 1.966869
H -6.742553 0.778778 1.894574
H -8.907127 3.545517 1.200374


