%chk=000180220.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000180220

0 1
Si 3.124712 0.491029 -0.785348
O 1.986709 -0.206121 0.118638
O 0.957985 0.277587 2.077162
O 0.488120 2.323604 2.599039
O -4.155337 0.044089 -1.820427
N 0.232946 1.473250 1.759684
C -0.296152 -0.963576 0.389629
C 1.089152 -0.725141 1.027462
C -0.797577 0.359124 -0.232131
C -0.199379 -2.127719 -0.603977
C 1.677826 -1.952809 1.731943
C 0.322569 -3.383981 0.110626
C 1.692349 -3.142233 0.762847
C -0.582979 1.517405 0.719234
C -2.239012 0.228773 -0.607274
C -1.292826 2.800846 0.429192
C 2.924397 -0.127811 -2.530464
C 4.802196 0.031283 -0.133741
C 2.889213 2.331178 -0.718324
C -3.353589 0.086552 0.306688
C -2.766522 0.199039 -1.875832
C -4.480734 -0.020799 -0.461574
H -0.994986 -1.255514 1.216818
H -0.187806 0.576544 -1.155238
H 0.477431 -1.857428 -1.440001
H -1.190519 -2.324631 -1.054549
H 1.085765 -2.178032 2.639957
H 2.703965 -1.723130 2.085529
H 0.398649 -4.217973 -0.612947
H -0.406760 -3.712893 0.875956
H 2.021103 -4.051557 1.300463
H 2.451093 -2.956842 -0.026296
H -0.938850 3.632990 1.058893
H -2.375001 2.696718 0.604386
H -1.150757 3.098307 -0.619247
H 3.024453 -1.220701 -2.584754
H 1.951824 0.150630 -2.956567
H 3.715064 0.321920 -3.154141
H 4.921316 0.369912 0.907416
H 4.973124 -1.053415 -0.160445
H 5.578810 0.519950 -0.744317
H 2.981471 2.695077 0.318839
H 3.664472 2.825714 -1.325296
H 1.904635 2.641605 -1.093851
H -3.272501 0.080583 1.376701
H -2.389084 0.265385 -2.870069
H -5.526476 -0.139184 -0.286392


%chk=000180220-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000180220

0 1
Si 3.309333 0.582515 -0.738017
O 1.804696 -0.349997 -0.575587
O 1.186662 0.277330 1.673398
O 0.804480 2.573092 2.004932
O -4.659719 -0.087172 -1.141087
N 0.380328 1.559894 1.330931
C -0.360269 -1.030773 0.263029
C 1.119846 -0.769084 0.615284
C -0.995689 0.255555 -0.328467
C -0.479826 -2.249003 -0.680052
C 1.771593 -2.006478 1.269703
C 0.178355 -3.501744 -0.054312
C 1.653339 -3.229240 0.328639
C -0.585211 1.523102 0.413679
C -2.508948 0.138765 -0.378154
C -1.222284 2.854177 0.096790
C 3.930318 0.001269 -2.439213
C 4.558348 0.189168 0.646734
C 2.878148 2.435669 -0.758059
C -3.410737 0.086410 0.763104
C -3.304543 0.032185 -1.505507
C -4.692485 -0.048403 0.265731
H -0.866053 -1.267001 1.221351
H -0.617292 0.355385 -1.368440
H 0.025860 -2.004297 -1.634802
H -1.545810 -2.441554 -0.903377
H 1.251239 -2.209594 2.224679
H 2.826401 -1.783875 1.505521
H 0.120024 -4.350763 -0.761628
H -0.387433 -3.799835 0.852867
H 2.093952 -4.116178 0.822191
H 2.240444 -3.035769 -0.590005
H -0.447632 3.616288 -0.110505
H -1.815676 3.234289 0.950240
H -1.892033 2.754984 -0.771990
H 4.169083 -1.077294 -2.424954
H 3.157540 0.168238 -3.210858
H 4.840639 0.551399 -2.741196
H 4.124006 0.409148 1.637639
H 4.884361 -0.866129 0.623780
H 5.458151 0.821541 0.522454
H 2.539606 2.782633 0.234838
H 3.764442 3.031499 -1.047976
H 2.078338 2.640524 -1.493276
H -3.131066 0.152964 1.813709
H -3.103242 0.018741 -2.573082
H -5.679081 -0.124976 0.713224


