%chk=000279833.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000279833

0 1
S 0.757669 -0.974030 0.750503
O -3.216837 -0.489232 -2.217405
O -1.158847 -3.392785 0.875643
O -6.120600 1.695668 2.171338
O -5.405184 3.500529 1.052957
O 3.467702 -0.721605 -0.142816
O 2.166365 -3.021543 -0.342828
O 3.071141 -4.758181 0.770274
N -2.254071 -1.194332 -0.280354
N -0.039585 -4.077712 -1.017310
N -7.297237 2.456733 -0.958448
N 6.562615 4.826748 -0.275013
C -1.118560 -1.823660 -0.980371
C -5.163241 1.065000 -0.949249
C -4.387223 0.014968 -0.152084
C 0.126768 -0.930626 -0.958679
C -6.393795 1.579445 -0.177744
C -3.264763 -0.554226 -0.998767
C -0.781973 -3.146904 -0.251767
C -5.920013 2.411473 1.013400
C 1.722692 0.544992 0.873366
C 0.855769 -4.980008 -0.263027
C 3.089290 0.366335 0.257573
C 3.957509 1.555063 0.155225
C 3.595870 2.826204 0.639445
C 5.221022 1.394135 -0.456997
C 2.157619 -4.293791 0.133562
C 4.455088 3.908138 0.523420
C 6.098058 2.458654 -0.587310
C 5.719216 3.735369 -0.099568
H -1.420420 -2.014062 -2.054014
H -4.492036 1.905972 -1.224228
H -5.481111 0.626493 -1.921409
H -4.006389 0.450613 0.795114
H -5.059348 -0.816398 0.157620
H 0.910931 -1.307305 -1.646459
H -0.122165 0.097303 -1.279943
H -7.002863 0.710259 0.204043
H -2.252650 -1.277207 0.739207
H 0.387724 -3.739377 -1.885216
H 1.181271 1.403684 0.432015
H 1.818576 0.769697 1.960120
H -6.802628 3.262437 -1.337274
H -7.714539 1.950307 -1.734005
H 1.073776 -5.887723 -0.872324
H 0.340697 -5.339036 0.668750
H 2.626589 2.975456 1.119757
H 5.500445 0.400813 -0.829352
H -5.859540 2.197190 2.989142
H 4.159585 4.883685 0.898814
H 7.063342 2.316485 -1.065418
H 7.514556 4.686131 -0.566797
H 6.378031 5.690180 0.205492
H 2.953202 -2.444213 -0.027002


%chk=000279833-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000279833

0 1
S 0.387076 -0.461426 0.638692
O -3.017360 -0.103264 -2.192986
O -1.412859 -3.494404 0.968965
O -6.995277 0.319084 1.718829
O -6.439154 2.521960 2.192331
O 3.470777 -0.678173 -0.079689
O 2.450646 -2.994369 -0.495270
O 2.972843 -4.146789 1.469198
N -2.538538 -1.507700 -0.413015
N 0.091289 -4.050861 -0.735209
N -6.733606 3.121771 -0.524470
N 7.028399 4.660446 -0.253103
C -1.319546 -2.043097 -1.015309
C -4.924319 1.329379 -0.519455
C -4.598762 -0.164217 -0.300161
C -0.167066 -0.999745 -1.099619
C -6.392496 1.741702 -0.153122
C -3.324624 -0.573655 -1.047601
C -0.898182 -3.274768 -0.171103
C -6.608670 1.611643 1.350657
C 1.588967 0.906959 0.178374
C 1.018523 -4.819518 0.108254
C 3.071273 0.530302 0.009646
C 4.058133 1.629223 -0.054434
C 3.699519 3.010791 -0.040337
C 5.445709 1.299020 -0.141008
C 2.259110 -3.964776 0.459809
C 4.673692 4.014208 -0.110206
C 6.427993 2.289769 -0.204918
C 6.060133 3.673201 -0.190771
H -1.533169 -2.344181 -2.061552
H -4.217774 1.970132 0.042934
H -4.778769 1.549939 -1.593967
H -4.518346 -0.409704 0.774029
H -5.432593 -0.778087 -0.698269
H 0.706491 -1.434560 -1.613709
H -0.540411 -0.116301 -1.642648
H -7.078064 1.032402 -0.654344
H -2.765818 -1.890052 0.513897
H 0.506997 -3.705030 -1.604373
H 1.224545 1.386600 -0.750421
H 1.494042 1.654831 0.984311
H -6.460223 3.816342 0.177618
H -6.481094 3.376115 -1.482103
H 1.338079 -5.745174 -0.402330
H 0.509915 -5.095877 1.044508
H 2.648663 3.312640 0.018116
H 5.720217 0.239367 -0.150432
H -7.092899 0.274097 2.709465
H 4.376313 5.069434 -0.101605
H 7.487027 2.011975 -0.264080
H 8.015395 4.421353 -0.305589
H 6.775812 5.645325 -0.239960
H 2.959547 -2.142079 -0.218860


