%chk=000223181.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000223181

0 1
S -1.500183 1.777306 0.395075
O -1.833805 2.759778 -0.634813
O -1.570586 2.160472 1.804345
N 3.948045 -0.233534 -0.731464
N -5.030102 -2.922859 -0.379223
C 0.084546 1.185453 0.079528
C -2.539789 0.412437 0.171782
C 2.682422 0.240968 -0.429122
C 4.878195 -0.768039 0.294074
C 0.873136 0.683705 1.122328
C 0.614756 1.239782 -1.217736
C 2.156238 0.206248 0.888918
C 1.891108 0.772145 -1.488492
C 6.190727 -1.225193 -0.360773
C -2.851827 -0.418200 1.254397
C -3.103352 0.155835 -1.083600
C -3.693277 -1.513489 1.093946
C -3.948353 -0.931255 -1.277535
C -4.242497 -1.781126 -0.183620
C 7.150954 -1.779941 0.686371
H 4.393209 -1.622292 0.822078
H 5.081804 0.015144 1.061583
H 0.475468 0.675874 2.144644
H 0.014073 1.668330 -2.029123
H 4.296528 -0.158432 -1.679654
H 2.746063 -0.177895 1.712977
H 2.285987 0.819903 -2.497492
H 6.668950 -0.379428 -0.895272
H 5.986808 -1.998701 -1.128927
H -2.439042 -0.196108 2.245867
H -2.887622 0.827529 -1.923262
H -3.923030 -2.155050 1.938424
H -4.374201 -1.125139 -2.256632
H 7.407625 -1.029793 1.444369
H 6.729364 -2.646552 1.209967
H 8.090807 -2.107038 0.224131
H -5.425680 -3.379766 0.426267
H -5.601066 -2.978980 -1.206830


%chk=000223181-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000223181

0 1
S -1.517752 1.753239 0.384821
O -1.850170 2.826463 -0.813662
O -1.559436 2.137559 1.981234
N 4.117052 -0.238529 -0.714996
N -5.481411 -2.798696 -0.331439
C 0.207425 1.091247 0.041901
C -2.714707 0.319510 0.154119
C 2.825902 0.199189 -0.448800
C 5.040618 -0.762941 0.297540
C 0.966010 0.598216 1.115296
C 0.717661 1.183102 -1.266681
C 2.276593 0.145270 0.871193
C 2.024298 0.731376 -1.509891
C 6.392119 -1.143533 -0.338086
C -3.039536 -0.473923 1.267757
C -3.304968 0.131661 -1.107362
C -3.964545 -1.520764 1.103313
C -4.230351 -0.915261 -1.270181
C -4.567033 -1.761450 -0.169503
C 7.384549 -1.700796 0.703291
H 4.600872 -1.657442 0.788955
H 5.209733 -0.006731 1.094932
H 0.545099 0.599231 2.126521
H 0.109726 1.627150 -2.061880
H 4.469169 -0.142791 -1.667364
H 2.875314 -0.236312 1.702673
H 2.442592 0.796990 -2.521683
H 6.829471 -0.249728 -0.827225
H 6.221738 -1.897528 -1.132671
H -2.596884 -0.253175 2.244820
H -3.062750 0.811814 -1.930874
H -4.233889 -2.150196 1.959502
H -4.704692 -1.077429 -2.245113
H 7.590583 -0.957126 1.495211
H 6.984151 -2.610244 1.188249
H 8.347154 -1.966188 0.231730
H -5.740345 -3.392915 0.450557
H -5.926957 -2.966221 -1.228702


