%chk=000299064.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000299064

0 1
S -2.934444 1.751066 1.032290
S 2.932916 1.745305 -1.052765
O -2.756803 -0.630427 -0.134781
O 2.759947 -0.623315 0.140834
N -4.872874 0.093592 0.128552
N 4.874609 0.101808 -0.130608
C -5.938083 1.054325 0.546462
C -5.305219 -1.178163 -0.521843
C 5.937952 1.059959 -0.559098
C 5.309435 -1.161759 0.533949
C -3.563810 0.386577 0.333273
C 3.565002 0.389990 -0.338556
C -6.257805 2.039860 -0.571947
C -5.577226 -2.262777 0.515730
C 6.255505 2.058609 0.548240
C 5.583938 -2.257230 -0.491486
C -1.355243 -0.460411 -0.029624
C 1.358082 -0.457296 0.033746
C -0.728173 -0.448026 1.221166
C 0.667803 -0.437009 1.251814
C -0.664997 -0.451619 -1.247884
C 0.730966 -0.459428 -1.217125
H -6.840344 0.469450 0.832405
H -5.606097 1.604808 1.462315
H -6.213294 -0.974909 -1.131867
H -4.507645 -1.513911 -1.229173
H 6.841442 0.473749 -0.838341
H 5.605001 1.599471 -1.481108
H 6.216947 -0.949873 1.141869
H 4.512403 -1.491324 1.244793
H -5.378236 2.651987 -0.827412
H -6.584887 1.542338 -1.490798
H -7.049832 2.733832 -0.265516
H -4.675298 -2.491920 1.101189
H -6.358451 -1.971854 1.227493
H -5.897423 -3.194483 0.033967
H 5.374672 2.671794 0.796713
H 6.583445 1.572078 1.472656
H 7.046185 2.750699 0.234162
H 4.682654 -2.494657 -1.074632
H 6.364797 -1.972633 -1.206200
H 5.905856 -3.182907 0.000646
H -1.311704 -0.429622 2.141662
H 1.212465 -0.409229 2.193558
H -1.209722 -0.434977 -2.189851
H 1.314490 -0.449537 -2.137767


%chk=000299064-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000299064

0 1
S -3.250397 1.957715 1.164366
S 3.250374 1.949477 -1.192022
O -2.801658 -0.396878 -0.226938
O 2.803564 -0.390558 0.224527
N -4.989593 0.097911 0.119615
N 4.991076 0.105365 -0.122370
C -6.141766 0.884922 0.624943
C -5.298973 -1.146710 -0.636901
C 6.142820 0.889705 -0.632828
C 5.301429 -1.129082 0.650184
C -3.709795 0.529031 0.348096
C 3.710855 0.530397 -0.359745
C -6.631924 1.931969 -0.395954
C -5.335174 -2.395904 0.268504
C 6.627233 1.949172 0.377908
C 5.346064 -2.388901 -0.240015
C -1.390280 -0.264774 -0.080645
C 1.392028 -0.262051 0.076470
C -0.776556 -0.261883 1.188988
C 0.632185 -0.254461 1.263297
C -0.630459 -0.270350 -1.267482
C 0.778312 -0.275073 -1.193101
H -6.947705 0.168004 0.870320
H -5.825770 1.388498 1.554477
H -6.280436 -0.992271 -1.122081
H -4.545717 -1.276460 -1.429348
H 6.951285 0.172136 -0.867817
H 5.828368 1.382146 -1.568812
H 6.280183 -0.965405 1.137807
H 4.545085 -1.252045 1.440770
H -5.832806 2.665362 -0.597544
H -6.929786 1.460356 -1.350435
H -7.507043 2.473051 0.007581
H -4.343201 -2.573615 0.716489
H -6.073015 -2.280457 1.083059
H -5.614173 -3.286832 -0.323506
H 5.825864 2.683005 0.568708
H 6.922985 1.488927 1.338582
H 7.502491 2.487666 -0.028774
H 4.356854 -2.575341 -0.690542
H 6.087442 -2.280864 -1.052363
H 5.625157 -3.271683 0.364040
H -1.384822 -0.251470 2.096292
H 1.144206 -0.243418 2.229669
H -1.142486 -0.271569 -2.233910
H 1.386572 -0.274756 -2.100459


