%chk=000203009.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000203009

0 1
Si 1.044256 -0.173090 -0.008186
O 1.769172 -0.883071 -1.301813
O 1.772599 -0.732222 1.353165
O 1.301371 1.454948 -0.106667
O -0.506241 -0.456779 0.015095
N 4.345896 0.487978 -0.044646
C 4.154803 -0.263742 -1.316694
C 4.195412 -0.315286 1.201208
C 3.736641 1.847462 -0.006405
C 3.098442 -1.387331 -1.390753
C 2.901541 -0.196160 2.035116
C 2.401501 2.108008 -0.735917
C -1.812603 -0.782425 0.040519
C -2.784707 0.241860 0.016137
C -2.403164 1.704962 -0.037803
C -2.133676 -2.145579 0.090692
C -4.122399 -0.170424 0.043913
C -2.921970 2.443411 1.203931
C -2.926545 2.349482 -1.329008
C -3.485003 -2.516161 0.117522
C -4.475297 -1.522019 0.093699
C -3.852269 -3.963650 0.170528
H 5.149150 -0.727801 -1.533632
H 3.966927 0.459423 -2.142417
H 5.043939 0.002286 1.857244
H 4.373523 -1.389130 0.967281
H 4.502663 2.521931 -0.464248
H 3.634951 2.173468 1.053446
H 3.118224 -1.874525 -2.388337
H 3.238763 -2.151496 -0.599777
H 2.967927 -0.822947 2.949189
H 2.676030 0.852213 2.317506
H 2.126646 3.181790 -0.669496
H 2.434243 1.797631 -1.800000
H -1.280346 1.787849 -0.042533
H -1.338933 -2.887301 0.108102
H -4.908863 0.585346 0.026183
H -4.015152 2.456158 1.248555
H -2.577375 3.482355 1.214807
H -2.559826 1.963988 2.121041
H -2.562246 1.807172 -2.209536
H -2.588592 3.387025 -1.414665
H -4.019866 2.352136 -1.373400
H -5.525171 -1.800731 0.113970
H -3.465110 -4.502515 -0.706455
H -3.427576 -4.448115 1.061708
H -4.936886 -4.126783 0.198633


%chk=000203009-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000203009

0 1
Si 1.159397 0.350433 0.283800
O 0.978983 0.046071 -1.432892
O 1.516757 -1.027341 1.311513
O 1.742397 1.911119 0.800030
O -0.490071 0.632362 0.665564
N 3.415791 0.071199 -0.268606
C 3.404515 0.050719 -1.761725
C 3.769027 -1.228852 0.375351
C 4.061236 1.271889 0.341259
C 2.051145 -0.552801 -2.207627
C 2.889936 -1.374377 1.639302
C 3.018252 2.414655 0.326011
C -1.635064 -0.167545 0.612021
C -2.847500 0.469670 0.213466
C -2.819702 1.932799 -0.230788
C -1.603780 -1.527288 0.994096
C -4.017123 -0.324055 0.212002
C -4.172437 2.660850 -0.063904
C -2.321167 2.029242 -1.702164
C -2.785562 -2.309585 0.975194
C -3.995600 -1.689879 0.581505
C -2.742598 -3.776527 1.373939
H 4.265266 -0.512803 -2.174603
H 3.468000 1.094832 -2.114588
H 4.849771 -1.293282 0.614178
H 3.517957 -2.037488 -0.333083
H 4.994194 1.554472 -0.186450
H 4.310318 1.026733 1.388512
H 1.858498 -0.333575 -3.271740
H 2.044651 -1.654523 -2.073096
H 2.895524 -2.416995 2.000275
H 3.257316 -0.720132 2.456961
H 3.324440 3.230221 1.002939
H 2.905592 2.833925 -0.695822
H -2.064890 2.441799 0.398690
H -0.649705 -1.959605 1.317691
H -4.969372 0.132002 -0.081130
H -4.942044 2.257665 -0.749894
H -4.055622 3.735161 -0.299248
H -4.555227 2.574808 0.969782
H -1.338574 1.539118 -1.816262
H -2.223829 3.088283 -2.010282
H -3.037136 1.534897 -2.386506
H -4.924414 -2.273083 0.567802
H -2.153115 -4.373566 0.651297
H -2.272664 -3.911486 2.366262
H -3.756962 -4.210537 1.417768


