%chk=000199124.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000199124

0 1
S -3.798910 -0.106385 0.531757
N 2.901919 0.265804 0.022355
N -0.756620 -0.276102 0.520316
C 3.810344 -0.681245 0.751386
C 3.577306 0.833172 -1.192661
C 5.083733 0.056801 1.196969
C 4.848003 1.591983 -0.775067
C 5.808321 0.679617 -0.002461
C 1.617736 -0.408325 -0.351680
C 0.683931 -0.365943 0.882146
C -1.436473 -1.467721 0.134150
C -1.299939 1.015397 0.244071
C -2.846626 -1.500644 0.075583
C -2.696009 1.205895 0.184723
C -0.731575 -2.653832 -0.164327
C -0.464733 2.138397 0.057945
C -3.533576 -2.657370 -0.282627
C -3.249077 2.456698 -0.081007
C -1.426659 -3.817976 -0.498622
C -1.024723 3.393519 -0.183441
C -2.821946 -3.828598 -0.564500
C -2.410581 3.560772 -0.262000
H 4.082804 -1.569120 0.140964
H 3.267725 -1.054963 1.645992
H 2.867806 1.539286 -1.676909
H 3.831096 0.055868 -1.944858
H 5.750418 -0.642060 1.733496
H 4.813112 0.851514 1.921250
H 4.567001 2.457243 -0.141224
H 5.343495 2.007700 -1.670926
H 6.687974 1.255173 0.340360
H 6.199778 -0.113599 -0.666800
H 1.745386 -1.454438 -0.703892
H 1.141999 0.137034 -1.197592
H 0.943523 0.509811 1.528218
H 0.832343 -1.262704 1.523138
H 0.355659 -2.679867 -0.143653
H 0.621380 2.045362 0.107543
H -4.624011 -2.657298 -0.338326
H -4.332033 2.579814 -0.141365
H -0.867796 -4.728160 -0.717080
H -0.367512 4.253221 -0.316860
H -3.353329 -4.737765 -0.833315
H -2.835165 4.541436 -0.460166


%chk=000199124-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000199124

0 1
S -3.740695 0.001086 0.718410
N 2.810901 0.132395 -0.060514
N -0.689927 -0.540990 0.540475
C 3.770671 -0.226041 1.018798
C 3.519639 0.430549 -1.334260
C 4.770669 0.919125 1.275357
C 4.512201 1.596531 -1.153214
C 5.522245 1.289385 -0.023606
C 1.744653 -0.884316 -0.230743
C 0.700358 -0.852597 0.936297
C -1.507379 -1.601951 0.052805
C -1.057396 0.830773 0.370590
C -2.925979 -1.477067 0.001160
C -2.423902 1.228432 0.358312
C -0.938069 -2.828798 -0.391753
C -0.065622 1.840228 0.218030
C -3.733468 -2.516947 -0.498303
C -2.790258 2.575656 0.173204
C -1.751944 -3.887559 -0.850534
C -0.436710 3.195766 0.076543
C -3.153256 -3.737612 -0.915760
C -1.796237 3.573487 0.043875
H 4.335827 -1.158025 0.748533
H 3.204752 -0.445868 1.942850
H 2.762416 0.690717 -2.097451
H 4.075235 -0.470081 -1.707095
H 5.482617 0.613798 2.065985
H 4.214089 1.800904 1.647650
H 3.941966 2.511854 -0.901549
H 5.038283 1.781799 -2.109235
H 6.189065 2.155314 0.146840
H 6.167166 0.439158 -0.328811
H 2.177858 -1.912699 -0.327257
H 1.217025 -0.670523 -1.178378
H 1.014309 -0.083739 1.663121
H 0.678253 -1.820695 1.466415
H 0.147349 -2.960512 -0.388772
H 0.997459 1.566553 0.205645
H -4.819160 -2.377077 -0.538532
H -3.852140 2.843886 0.152699
H -1.281882 -4.823667 -1.171462
H 0.347730 3.954506 -0.022805
H -3.788058 -4.550012 -1.283283
H -2.085152 4.622275 -0.079272


