%chk=000181956.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000181956

0 1
O 0.401850 -1.644434 0.640446
O -0.926639 2.866702 -0.094190
N 1.991542 0.047824 0.087950
N 3.616861 1.589354 -0.440646
N 1.293814 2.363030 -0.284571
C 3.234768 -0.649317 0.059944
C -0.349508 0.577504 0.302015
C -1.772942 0.196149 0.579206
C 2.228110 1.458982 -0.227662
C 0.655452 -0.344602 0.345979
C 4.242394 0.325097 -0.271128
C -2.610766 0.195489 -0.712133
C -0.086753 2.003181 -0.026633
C 3.566246 -1.979563 0.282044
C -4.032999 -0.193397 -0.418585
C 5.579731 -0.043005 -0.377190
C 4.917729 -2.335670 0.171697
C 5.898876 -1.389040 -0.150097
C -4.440525 -1.531720 -0.528056
C -4.962248 0.782607 -0.024568
C -5.763650 -1.886795 -0.251068
C -6.283092 0.422198 0.251507
C -6.687510 -0.912313 0.138473
H -2.209599 0.919432 1.303790
H -1.825249 -0.799739 1.066424
H -2.571183 1.207329 -1.174317
H -2.158988 -0.486879 -1.457946
H 4.072408 2.459066 -0.676407
H 2.807541 -2.721111 0.532105
H 6.350955 0.682508 -0.626507
H 5.208555 -3.373416 0.340566
H 6.940995 -1.704834 -0.226928
H -3.726145 -2.294687 -0.828233
H -4.650171 1.822565 0.065717
H 1.217544 -2.220106 0.678560
H -6.075000 -2.925803 -0.339357
H -6.999720 1.183312 0.555229
H -7.716486 -1.190096 0.352572


%chk=000181956-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000181956

0 1
O 0.692002 -1.743697 0.624869
O -0.988622 2.792263 -0.018639
N 2.064844 0.048891 0.086907
N 3.607502 1.597063 -0.432345
N 1.311706 2.357254 -0.248583
C 3.315766 -0.623341 0.038562
C -0.283238 0.519286 0.331465
C -1.717946 0.113987 0.589611
C 2.242541 1.431718 -0.204525
C 0.763858 -0.379701 0.354697
C 4.287388 0.372865 -0.292909
C -2.553108 0.001759 -0.728133
C -0.032499 1.956903 0.015651
C 3.681710 -1.964862 0.244239
C -4.019240 -0.280232 -0.441639
C 5.648054 0.047555 -0.425753
C 5.053222 -2.289510 0.109815
C 6.018034 -1.302988 -0.218766
C -4.563116 -1.581920 -0.587745
C -4.867432 0.760876 0.021028
C -5.918720 -1.842003 -0.279221
C -6.221628 0.505814 0.329734
C -6.752470 -0.797979 0.182697
H -2.181755 0.895502 1.218181
H -1.804947 -0.836791 1.160192
H -2.441565 0.963839 -1.259727
H -2.122863 -0.790007 -1.370666
H 4.004767 2.504621 -0.663268
H 2.933191 -2.717343 0.496340
H 6.395228 0.805748 -0.679212
H 5.372863 -3.325187 0.263434
H 7.070517 -1.589151 -0.314533
H -3.923893 -2.394825 -0.956577
H -4.460534 1.774371 0.128052
H -0.241119 -1.988383 0.849106
H -6.323946 -2.852941 -0.403784
H -6.864305 1.321815 0.679681
H -7.804052 -0.995466 0.419766


