%chk=000194622.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000194622

0 1
S 2.193824 -1.031813 -1.045282
O -2.780509 1.884483 -0.477624
O 1.785559 1.805056 1.078548
O 0.608995 2.793448 -0.554573
N -1.201319 0.363501 0.559492
N 5.742986 -0.660006 0.923942
C -1.601511 -1.115177 0.405993
C -2.862240 -0.665465 -0.386384
C -0.429203 -1.790003 -0.334537
C -2.387718 0.798160 -0.210651
C -4.212120 -0.976780 0.242339
C 0.143177 0.482661 0.056918
C 0.617643 -0.702472 -0.389323
C -4.599378 -2.439781 0.054579
C 0.804260 1.808844 0.107954
C 3.281558 -0.847774 0.406294
C 4.712638 -0.790037 -0.136678
H -1.815847 -1.582152 1.384350
H -2.846038 -0.966633 -1.454028
H -0.699654 -2.144654 -1.347501
H -0.063093 -2.680879 0.210446
H -4.984613 -0.318433 -0.211024
H -4.204244 -0.722216 1.322670
H -4.701456 -2.702879 -1.005107
H -3.857456 -3.117839 0.491900
H -5.561885 -2.656262 0.535318
H 3.019157 0.072020 0.970345
H 3.135247 -1.699468 1.093518
H 4.949979 -1.704814 -0.729527
H 4.834257 0.070721 -0.836640
H 2.235051 2.692648 1.158015
H 5.707563 -1.443543 1.568289
H 5.603389 0.185039 1.468868


%chk=000194622-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000194622

0 1
S 2.296348 -1.121636 -1.044185
O -2.809736 1.942238 -0.176894
O 1.891178 2.069595 -0.106876
O 0.288482 2.471197 1.529589
N -1.228294 0.196937 0.519868
N 5.766444 -0.757688 1.261601
C -1.617476 -1.210461 0.125737
C -3.002545 -0.647958 -0.369584
C -0.485059 -1.638212 -0.842765
C -2.433894 0.768922 -0.026167
C -4.269489 -1.106455 0.372589
C 0.158750 0.435662 0.213271
C 0.652541 -0.647614 -0.497425
C -4.682177 -2.548427 0.004841
C 0.748261 1.713087 0.642770
C 3.520989 -0.358479 0.211466
C 4.747178 -1.296724 0.352050
H -1.691466 -1.880508 0.999524
H -3.137634 -0.748359 -1.463332
H -0.765511 -1.519544 -1.909383
H -0.174505 -2.685372 -0.694541
H -5.090298 -0.404529 0.130654
H -4.100427 -1.026209 1.464330
H -4.903959 -2.636652 -1.075308
H -3.879122 -3.270946 0.243981
H -5.585720 -2.855863 0.561371
H 3.797115 0.641272 -0.153840
H 2.978028 -0.257929 1.167543
H 4.421357 -2.285533 0.721946
H 5.209851 -1.464410 -0.638671
H 2.184628 2.966627 0.210277
H 5.505735 -0.716875 2.249482
H 6.257425 0.078346 0.936981


