%chk=000277854.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000277854

0 1
S 0.622318 -2.561599 1.376184
O 1.931780 -2.786927 1.957755
O -0.554491 -2.885526 2.139321
N 0.668241 -0.829104 1.108830
N -0.440341 -0.355958 0.488194
C 0.542405 -3.240433 -0.194062
C 0.425830 -4.375511 -2.756113
C 1.679022 -3.845936 -0.747516
C -0.650806 -3.201073 -0.925731
C 1.624205 -4.412804 -2.018604
C -0.711508 -3.766310 -2.199993
C -0.704278 0.919029 0.363039
C -1.953840 1.267112 -0.366284
C 0.363044 -4.994159 -4.111819
C 0.075989 2.061657 0.881635
C -3.160696 0.619569 -0.060191
C -1.921201 2.258056 -1.360739
C 2.155414 3.386870 1.132561
C 1.377151 2.246289 0.622980
C -4.328144 0.965625 -0.746238
C -3.092385 2.596682 -2.042084
C -4.296397 1.952864 -1.735927
C 1.974257 3.864942 2.440868
C 3.105954 3.999713 0.296686
C 2.731273 4.944751 2.903396
C 3.854547 5.081889 0.763492
C 3.669813 5.556184 2.066879
H 2.615098 -3.877032 -0.175692
H -1.541791 -2.722591 -0.501252
H 2.508932 -4.885218 -2.440955
H -1.642970 -3.731303 -2.762193
H 1.300979 -0.209455 1.639309
H 1.310792 -4.899567 -4.660540
H 0.141736 -6.070964 -4.037131
H -0.418318 -4.550395 -4.744593
H -0.507267 2.767401 1.480582
H -3.183362 -0.152545 0.710009
H -0.984109 2.759123 -1.599621
H 1.936617 1.553432 -0.014524
H -5.264589 0.464195 -0.506751
H -3.067344 3.364489 -2.813512
H -5.207336 2.221088 -2.267356
H 1.249074 3.389751 3.099380
H 3.254591 3.634340 -0.717868
H 2.588733 5.309706 3.919625
H 4.585856 5.556923 0.111235
H 4.256923 6.397930 2.428833


%chk=000277854-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000277854

0 1
S 0.134337 -2.397069 0.968999
O 1.312261 -2.682515 2.066715
O -1.454989 -2.557046 1.305808
N 0.492656 -0.440024 0.352937
N -0.674729 0.113276 0.001066
C 0.502611 -3.396567 -0.574790
C 1.051153 -4.903230 -2.870335
C 1.813993 -3.859902 -0.768190
C -0.548387 -3.648413 -1.470956
C 2.076540 -4.619711 -1.928536
C -0.257193 -4.408725 -2.624888
C -1.003016 1.407475 0.143460
C -2.410084 1.758870 -0.189142
C 1.342733 -5.746469 -4.098081
C -0.071952 2.440923 0.607025
C -3.424672 0.762426 -0.125729
C -2.769934 3.083961 -0.558270
C 2.252161 3.380445 1.038159
C 1.303005 2.380723 0.527960
C -4.762710 1.087772 -0.421631
C -4.112785 3.407258 -0.851272
C -5.114344 2.411665 -0.783329
C 1.864270 4.481466 1.858524
C 3.632231 3.241587 0.708133
C 2.819194 5.408929 2.316710
C 4.588223 4.170710 1.166834
C 4.185865 5.260889 1.972687
H 2.591252 -3.648825 -0.026758
H -1.556037 -3.274964 -1.264546
H 3.090440 -4.997700 -2.103619
H -1.057723 -4.619347 -3.343174
H 0.985111 -0.042519 1.198720
H 2.372189 -5.588382 -4.464004
H 1.238755 -6.824364 -3.867092
H 0.645734 -5.518500 -4.922759
H -0.544119 3.326298 1.050738
H -3.141780 -0.254903 0.165354
H -1.997794 3.857088 -0.644572
H 1.757166 1.547776 -0.029332
H -5.535579 0.313493 -0.361531
H -4.375777 4.430959 -1.140222
H -6.156663 2.662996 -1.009501
H 0.815581 4.604504 2.150904
H 3.949189 2.397510 0.082949
H 2.503991 6.246585 2.948729
H 5.643136 4.045409 0.899644
H 4.925893 5.983385 2.333706


