%chk=000211594.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000211594

0 1
S -5.148620 -1.632812 0.372265
N -0.463093 -0.518846 0.039024
N 2.386442 -0.087006 -0.131321
N 4.549868 -1.067344 -0.289061
N -6.346117 0.511959 -0.414731
C 0.113726 0.864034 0.094556
C 0.394256 -1.383487 -0.837331
C 1.525951 0.798602 0.710171
C 1.818287 -1.465194 -0.253673
C -1.880420 -0.498076 -0.447779
C -2.798074 -0.157986 0.746921
C 3.785072 0.050291 -0.018240
C -4.217380 -0.154803 0.340806
C 4.386564 1.311720 0.248775
C -5.008679 0.876539 -0.100997
C 5.772246 1.413837 0.206474
C 5.896845 -0.926639 -0.328049
C -4.617643 2.297591 -0.266308
C -6.576032 -0.760673 -0.220958
C 6.552709 0.288544 -0.085477
H -0.536179 1.490868 0.742555
H 0.160298 1.355175 -0.902415
H 0.439250 -1.024144 -1.888705
H -0.042901 -2.405853 -0.854203
H 1.960175 1.822208 0.749220
H 1.465792 0.418226 1.755747
H 1.805233 -1.981560 0.731736
H 2.463358 -2.071602 -0.932530
H -2.053693 0.215769 -1.280597
H -2.149188 -1.504515 -0.838391
H -2.518836 0.830602 1.174495
H -2.607678 -0.880772 1.572264
H 3.772195 2.181025 0.461837
H 6.252677 2.373282 0.401508
H 6.458143 -1.841318 -0.556243
H -4.603866 2.816926 0.704414
H -3.622589 2.397989 -0.719586
H -5.331911 2.841775 -0.907423
H -7.516963 -1.268873 -0.390160
H 7.633977 0.352440 -0.121690


%chk=000211594-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000211594

0 1
S -5.157176 -1.677005 0.255944
N -0.431509 -0.558132 0.227741
N 2.433802 -0.223035 0.333281
N 4.458637 -0.968211 -0.606945
N -6.347292 0.494599 -0.715356
C 0.172169 0.787598 0.379293
C 0.468559 -1.429606 -0.575500
C 1.551949 0.697183 1.066205
C 1.841188 -1.557243 0.105254
C -1.811831 -0.522311 -0.308326
C -2.841710 -0.029542 0.747122
C 3.779612 0.026678 0.061652
C -4.260208 -0.095814 0.246177
C 4.441291 1.243638 0.437258
C -5.058683 0.904118 -0.305179
C 5.791896 1.418222 0.089752
C 5.765489 -0.771215 -0.925310
C -4.683971 2.351275 -0.501029
C -6.558097 -0.787446 -0.501409
C 6.486166 0.400616 -0.611618
H -0.486297 1.419103 1.002613
H 0.295294 1.291980 -0.614074
H 0.610224 -1.030760 -1.611634
H 0.009283 -2.432313 -0.653320
H 1.989533 1.706717 1.103843
H 1.408828 0.340776 2.109255
H 1.709837 -2.074403 1.079817
H 2.544768 -2.134588 -0.513278
H -1.895487 0.113216 -1.226138
H -2.086506 -1.551738 -0.605518
H -2.620526 1.015364 1.033034
H -2.708395 -0.641530 1.657710
H 3.926010 2.029000 0.995594
H 6.304664 2.344401 0.373104
H 6.247983 -1.600920 -1.456620
H -5.403088 3.007307 0.021243
H -3.671579 2.570047 -0.124670
H -4.720258 2.616000 -1.573227
H -7.478601 -1.320776 -0.736604
H 7.537232 0.506648 -0.893238


