%chk=000217026.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000217026

0 1
S 3.215492 0.326561 0.942800
O 3.380147 1.767989 0.977129
O 3.502983 -0.492639 2.106013
N -2.240124 -0.750169 -0.995311
N -4.872528 0.017800 -0.025980
N -0.386057 0.712428 -0.736161
N 4.240343 -0.249406 -0.323853
C -3.009282 0.361309 -1.630795
C -3.157777 -1.739945 -0.360707
C -3.947195 1.042854 -0.614919
C -4.088802 -1.059827 0.664723
C -0.998150 -0.494201 -0.413841
C -5.822144 0.661595 0.928876
C -0.320905 -1.468476 0.379373
C 1.607995 -0.012815 0.430701
C 0.976325 -1.211955 0.791836
C 0.874913 0.926063 -0.314568
C 4.275331 -1.719731 -0.492176
C 4.159110 0.502925 -1.596292
H -3.598203 -0.084289 -2.465444
H -2.316520 1.109989 -2.078916
H -2.584593 -2.562593 0.118000
H -3.762916 -2.198258 -1.179545
H -4.566509 1.801482 -1.141397
H -3.348123 1.587342 0.147082
H -3.499190 -0.689536 1.530742
H -4.809814 -1.809066 1.058698
H -5.352941 1.158888 1.790677
H -6.524521 -0.099427 1.306305
H -6.424434 1.407949 0.384688
H -0.817154 -2.396244 0.650383
H 1.509780 -1.943508 1.411624
H 1.308057 1.906935 -0.578658
H 5.137382 -1.999172 -1.123929
H 3.368514 -2.145760 -0.949435
H 4.443148 -2.194754 0.494717
H 4.242299 1.587423 -1.383999
H 3.241216 0.317342 -2.176031
H 5.022047 0.243298 -2.235209


%chk=000217026-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000217026

0 1
S 3.570095 0.258166 0.859634
O 3.819281 1.865769 0.886613
O 3.932087 -0.730484 2.103093
N -2.272967 -0.461025 -0.447162
N -5.105557 -0.026028 -0.153583
N -0.283748 0.782254 -0.539397
N 4.640963 -0.373148 -0.590857
C -2.958068 0.584562 -1.242223
C -3.165413 -1.570907 -0.063343
C -4.200367 1.099810 -0.491215
C -4.406174 -1.028604 0.680355
C -0.932941 -0.365849 -0.117144
C -6.373573 0.426543 0.451655
C -0.231650 -1.381310 0.627374
C 1.762724 -0.027188 0.453472
C 1.127356 -1.202185 0.912604
C 1.029779 0.945078 -0.252382
C 4.474200 -1.835609 -0.750200
C 4.380884 0.431877 -1.806029
H -3.278720 0.144119 -2.207814
H -2.239515 1.395355 -1.430156
H -2.643590 -2.296823 0.576944
H -3.504017 -2.095355 -0.979713
H -4.745552 1.809058 -1.141083
H -3.870968 1.655528 0.423719
H -4.081460 -0.601258 1.664718
H -5.097974 -1.866955 0.885443
H -6.235052 0.953636 1.428877
H -7.036274 -0.440993 0.620445
H -6.886965 1.118224 -0.239629
H -0.733303 -2.284358 0.980528
H 1.687963 -1.936220 1.500930
H 1.494399 1.883687 -0.573516
H 5.308243 -2.194514 -1.380449
H 3.514497 -2.135138 -1.230822
H 4.564786 -2.313049 0.239635
H 4.393407 1.500188 -1.532943
H 3.425100 0.182885 -2.321830
H 5.215285 0.248659 -2.507346


