%chk=000283997.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000283997

0 1
S -6.512103 1.228044 0.393224
S 6.508128 -1.258502 -0.421458
S -7.249226 -0.608067 -0.168204
S 7.245847 0.578017 0.137970
O -6.108586 -0.949171 -1.353019
O 6.105936 0.920804 1.322954
O -7.044297 -1.550245 0.876802
O -8.481538 -0.443499 -0.862644
O 8.478352 0.413750 0.832165
O 7.040686 1.519090 -0.907982
N -2.643163 0.222851 1.123792
N 2.639412 -0.252553 -1.152182
C -1.363970 0.425881 0.380667
C 1.360185 -0.455499 -0.409063
C -0.214357 0.340073 1.409862
C -1.143195 -0.596096 -0.759736
C 1.139412 0.566478 0.731348
C 0.210568 -0.369673 -1.438258
C -3.862514 0.520362 0.312441
C 3.858830 -0.549612 -0.340740
C -4.996107 0.787036 1.302194
C 4.992033 -0.817913 -1.330493
H -1.381257 1.458599 -0.055236
H 1.377471 -1.488235 0.026818
H -0.375077 1.094357 2.205480
H -0.225090 -0.640729 1.921537
H -1.200517 -1.628353 -0.366209
H -1.952504 -0.514221 -1.508701
H 1.948705 0.484626 1.480337
H 1.196746 1.598738 0.337819
H 0.221272 0.611141 -1.949912
H 0.371256 -1.123936 -2.233906
H -2.697823 -0.731208 1.496768
H 2.693938 0.701359 -1.525572
H -3.678892 1.420829 -0.317162
H -4.131607 -0.303395 -0.391128
H 3.675094 -1.449231 0.290031
H 4.128451 0.274905 0.361735
H -5.174334 -0.074609 1.979101
H -4.753153 1.648769 1.962544
H 4.748532 -1.680286 -1.989802
H 5.170443 0.042890 -2.008435
H -6.438451 -1.282430 -2.204237
H 6.436664 1.251964 2.174688


%chk=000283997-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000283997

0 1
S -6.617741 1.509632 0.155148
S 6.613973 -1.539238 -0.183609
S -7.600952 -0.755070 -0.066546
S 7.597595 0.725525 0.036550
O -7.211704 -0.975952 -1.874214
O 7.209608 0.947420 1.844358
O -6.647832 -1.764756 0.777775
O -9.204804 -0.878066 0.099666
O 9.201373 0.848381 -0.130659
O 6.644002 1.734857 -0.807642
N -2.733439 0.310512 0.916516
N 2.729524 -0.340538 -0.944898
C -1.386003 0.470035 0.332840
C 1.382094 -0.500101 -0.361199
C -0.315115 0.235270 1.422653
C -1.118583 -0.454885 -0.893293
C 1.114666 0.424818 0.864939
C 0.311201 -0.265338 -1.451003
C -3.903782 0.696614 0.116775
C 3.899902 -0.726515 -0.145181
C -5.097876 0.906899 1.065549
C 5.093988 -0.936827 -1.094000
H -1.306903 1.523238 -0.012412
H 1.302997 -1.553303 -0.015947
H -0.496295 0.924304 2.267906
H -0.423106 -0.798107 1.817541
H -1.259154 -1.509700 -0.576667
H -1.862566 -0.255163 -1.687658
H 1.858653 0.225089 1.659297
H 1.255237 1.479635 0.548317
H 0.419196 0.768038 -1.845895
H 0.492387 -0.954373 -2.296253
H -2.856088 -0.570291 1.433509
H 2.852142 0.540231 -1.461961
H -3.665922 1.643434 -0.404489
H -4.194359 -0.041984 -0.664554
H 3.662057 -1.673291 0.376167
H 4.190424 0.012165 0.636093
H -5.375301 -0.049028 1.556086
H -4.877548 1.647074 1.857356
H 4.873705 -1.677131 -1.885699
H 5.371308 0.019050 -1.584682
H -7.838039 -1.676873 -2.226346
H 7.837278 1.647408 2.195966


