%chk=000189951.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000189951

0 1
S 3.834202 -0.188707 -0.713359
O 4.872979 -0.617858 0.269523
N -1.342335 0.249651 -0.570376
N 1.065476 0.310046 -1.893970
N -1.279280 -0.390189 2.383992
C -2.017600 -0.955365 -1.132088
C -2.263267 1.255204 0.043610
C -0.156283 -0.044248 0.209452
C -2.590852 -1.967505 -0.123698
C -2.767457 2.192470 -1.071020
C 1.078646 0.061121 -0.506524
C -0.113597 -0.365692 1.588052
C 2.295122 -0.162773 0.160281
C 1.128550 -0.582340 2.237078
C -3.463355 -3.007819 -0.818890
C -3.679811 3.276489 -0.505439
C 2.310298 -0.480106 1.520021
C 4.071942 1.608823 -0.928979
H -2.825944 -0.592547 -1.805228
H -1.271460 -1.470590 -1.780869
H -3.126170 0.789659 0.563836
H -1.714517 1.849327 0.808439
H -1.757467 -2.474689 0.403453
H -3.182525 -1.442055 0.652447
H -1.902163 2.652399 -1.587414
H -3.303029 1.610298 -1.845469
H 1.155620 -0.819410 3.295955
H -4.329618 -2.550644 -1.310972
H -2.902684 -3.557127 -1.585280
H -3.844884 -3.747079 -0.104990
H -4.565701 2.851399 -0.020273
H -3.162957 3.894106 0.238660
H -4.032014 3.947938 -1.297068
H 3.274217 -0.655893 2.018977
H 1.851259 0.802409 -2.289529
H 0.179151 0.636530 -2.275112
H -1.198862 -0.846833 3.281830
H -2.155560 -0.599811 1.920776
H 4.983352 1.925943 -0.405347
H 3.256327 2.209682 -0.525420
H 4.205754 1.841988 -1.985069


%chk=000189951-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000189951

0 1
S 3.802096 0.046690 -0.994986
O 5.036366 -0.422744 0.041050
N -1.518509 0.025955 -0.243493
N 0.746962 0.347234 -1.866380
N -1.134125 -0.548753 2.540917
C -2.133561 -1.101128 -0.976354
C -2.353332 1.197564 0.097442
C -0.206774 -0.119918 0.325712
C -2.886664 -2.133165 -0.093177
C -2.381391 2.296123 -0.997594
C 0.941360 0.030793 -0.520985
C -0.018222 -0.410581 1.715298
C 2.231435 -0.118680 0.051014
C 1.296157 -0.557132 2.250535
C -3.535563 -3.253753 -0.934085
C -3.284165 3.486697 -0.606839
C 2.411852 -0.424189 1.408191
C 3.899128 1.978057 -0.956070
H -2.840614 -0.696447 -1.732065
H -1.339944 -1.634126 -1.537354
H -3.399201 0.873573 0.298526
H -1.974050 1.642017 1.038223
H -2.171941 -2.569881 0.630761
H -3.669740 -1.608144 0.493032
H -1.344963 2.645427 -1.171177
H -2.737859 1.851724 -1.949275
H 1.428583 -0.795152 3.312119
H -4.268571 -2.841863 -1.653722
H -2.771589 -3.807141 -1.512338
H -4.064838 -3.982790 -0.294360
H -4.329112 3.160011 -0.444342
H -2.931355 3.961000 0.328414
H -3.292516 4.261494 -1.394511
H 3.440741 -0.558576 1.768371
H 1.488780 0.243999 -2.552811
H -0.213187 0.491487 -2.174156
H -1.021495 -0.813840 3.514762
H -2.060788 -0.584443 2.123998
H 3.981146 2.241922 0.107913
H 2.986655 2.391402 -1.413140
H 4.806313 2.255477 -1.513065


