%chk=000279268.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000279268

0 1
S 1.969761 -2.166833 2.085924
O 1.235595 -3.332851 2.535760
O 3.371663 -2.303711 1.723069
O 5.388908 1.755857 0.398166
O -5.485039 1.444494 -0.854083
O -1.538133 -3.652195 -1.188792
O 1.009088 2.741192 0.206964
O -1.124555 2.705674 -0.032136
O -2.699453 -1.975703 -2.083446
N 2.385641 0.585041 0.313670
N -2.420395 0.511107 -0.214401
N -0.048591 2.114533 0.096714
N 1.979233 -1.014981 3.364414
C 1.195422 -0.034093 0.462743
C 1.056374 -1.402349 0.870546
C -1.211989 -0.089463 -0.189922
C -0.025349 0.692891 0.120958
C -1.040432 -1.514945 -0.372701
C 0.010351 -2.134649 0.315324
C 3.740194 -0.025002 0.427486
C -3.731979 -0.168302 -0.401540
C 4.694938 0.789071 -0.357851
C -1.850651 -2.306125 -1.276668
C -4.805903 0.700164 0.130650
C 5.095583 0.837574 -1.669499
C -5.329360 0.967184 1.371201
C 6.090326 1.876722 -1.762622
C -6.391663 1.921630 1.177284
C 6.236754 2.400389 -0.503986
C -6.452344 2.180000 -0.168139
H -0.005863 -3.237535 0.415212
H 2.409606 1.615423 0.101553
H -2.489152 1.557101 -0.131961
H 3.742947 -1.090415 0.058636
H 4.059152 -0.078275 1.503192
H -3.741020 -1.158832 0.117909
H -3.898592 -0.383373 -1.499792
H 1.216064 -1.028012 4.037348
H 2.853137 -0.866384 3.866159
H 4.754436 0.229383 -2.486330
H -5.026896 0.558767 2.317091
H 6.602343 2.163689 -2.661596
H -7.002024 2.335239 1.957713
H 6.828329 3.165545 -0.051024
H -7.046089 2.793891 -0.809815
H -2.063872 -4.197235 -1.835479


%chk=000279268-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000279268

0 1
S 2.464562 -2.875549 1.045215
O 1.784783 -4.284831 1.498469
O 3.724017 -2.909501 0.020002
O 4.055686 2.362929 0.947858
O -5.205177 1.747348 -0.931139
O -2.410343 -3.922169 0.859819
O 1.041692 1.960437 -1.704093
O -1.206485 1.916619 -1.809556
O -3.471802 -2.771776 -0.851129
N 2.318847 0.214324 -0.405920
N -2.561104 0.131412 -0.634228
N -0.089036 1.344637 -1.416186
N 3.104296 -1.984301 2.544673
C 1.169811 -0.483138 -0.212810
C 1.042858 -1.754357 0.460273
C -1.401295 -0.553488 -0.438820
C -0.104135 0.086019 -0.718964
C -1.388517 -1.893130 0.107558
C -0.173126 -2.424733 0.576880
C 3.675097 0.035943 0.174141
C -3.893374 -0.155846 -0.051019
C 4.448459 1.309631 0.083986
C -2.522924 -2.829432 -0.024395
C -4.636091 1.117658 0.201511
C 5.545684 1.716811 -0.658435
C -4.924236 1.866372 1.331655
C 5.862087 3.072792 -0.257701
C -5.704783 3.010518 0.904919
C 4.938613 3.429205 0.709399
C -5.849454 2.907057 -0.467282
H -0.176860 -3.439145 0.991784
H 2.169710 1.072794 -0.986778
H -2.440106 1.026547 -1.152380
H 4.216260 -0.761920 -0.364007
H 3.579689 -0.290851 1.227592
H -3.765104 -0.690447 0.906970
H -4.458885 -0.828114 -0.720836
H 2.412640 -2.088489 3.308416
H 4.012960 -2.418339 2.789670
H 6.063485 1.119474 -1.406613
H -4.615703 1.631417 2.348739
H 6.665475 3.697272 -0.642591
H -6.101354 3.802875 1.536118
H 4.760544 4.327455 1.293752
H -6.336350 3.510414 -1.227942
H -3.124513 -4.577109 0.637325


