%chk=000119317.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000119317

0 1
O -3.463064 -1.850795 -0.190800
O -1.721089 -4.230192 1.132235
O -4.701348 -0.721787 2.060474
O -2.927188 4.428001 -1.588079
N -2.140586 -0.170802 -1.190091
N -1.294464 1.829109 -1.984434
N -4.322115 0.746396 -0.301965
N 0.025394 -0.260414 -2.386386
N -4.517586 3.162235 -0.526475
N -6.125000 1.937683 0.733240
C -2.264109 -1.635731 -0.954771
C -1.099276 -2.225803 -0.149907
C -1.709559 -2.811144 1.134920
C -3.156913 -2.253787 1.174197
C -3.301805 -1.063616 2.127183
C -3.072239 0.834284 -0.912112
C -1.058589 0.511755 -1.879240
C -2.532752 2.058933 -1.390805
C -3.259859 3.332484 -1.222631
C -4.966611 2.009222 -0.084283
C 1.277175 -0.217883 -1.672221
C 2.365846 -0.902494 -2.250074
C 1.408876 0.387729 -0.411089
C 3.705500 -0.400429 -0.284641
C 3.568031 -0.991522 -1.552163
C 2.620754 0.292867 0.273556
C 4.985126 -0.499605 0.448827
C 5.533827 -1.758145 0.742986
C 5.656703 0.665075 0.854038
C 6.742456 -1.847436 1.438242
C 6.866166 0.568200 1.546595
C 7.410381 -0.686327 1.840560
H -2.458807 -2.135432 -1.936000
H -0.318608 -1.472592 0.086976
H -0.554080 -2.998447 -0.727247
H -1.112735 -2.584439 2.046338
H -3.932221 -3.027963 1.380069
H -3.058639 -1.348038 3.168785
H -2.691415 -0.195211 1.819303
H -2.186093 -4.589849 0.344640
H -4.645451 -0.147521 0.122095
H 0.129392 -0.140914 -3.406767
H -4.863543 0.125653 2.538041
H 2.273691 -1.361260 -3.232341
H 0.588466 0.961417 0.019838
H -6.624591 2.827915 0.806665
H -6.761861 1.170499 0.540545
H 4.414143 -1.517658 -1.996820
H 2.726292 0.766385 1.250857
H 5.013813 -2.663080 0.434451
H 5.237873 1.642885 0.620080
H 7.164889 -2.824523 1.667310
H 7.386644 1.473177 1.856843
H 8.352254 -0.758666 2.380753


%chk=000119317-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000119317

0 1
O -3.391400 -1.801648 -0.128118
O -1.680038 -4.268239 0.713319
O -4.757904 -0.734017 2.103141
O -3.148541 4.414435 -2.142424
N -2.083012 -0.032333 -1.114132
N -1.426664 1.839514 -2.274058
N -4.229438 0.896306 -0.188794
N -0.007522 -0.170546 -2.436077
N -4.680509 3.191626 -0.838548
N -6.192194 1.997489 0.508143
C -2.088315 -1.467785 -0.741629
C -1.003634 -1.883049 0.287047
C -1.728023 -2.891162 1.213147
C -3.175162 -2.347481 1.247337
C -3.399440 -1.273355 2.317172
C -3.057185 0.942106 -0.918226
C -1.107544 0.574960 -1.974327
C -2.647060 2.091568 -1.625870
C -3.457578 3.327043 -1.583922
C -5.005355 2.068952 -0.214781
C 1.229680 -0.233807 -1.730176
C 2.264909 -1.079187 -2.210399
C 1.451756 0.516249 -0.546154
C 3.720261 -0.441161 -0.318720
C 3.485903 -1.171875 -1.517259
C 2.674577 0.404781 0.142627
C 5.012266 -0.550095 0.415829
C 5.744487 -1.770437 0.434394
C 5.551892 0.561836 1.121694
C 6.967941 -1.875701 1.129628
C 6.773144 0.457158 1.820649
C 7.489549 -0.762474 1.828947
H -2.002921 -2.040741 -1.683176
H -0.660397 -1.002435 0.856102
H -0.123207 -2.338651 -0.189439
H -1.267603 -2.956028 2.211501
H -3.914913 -3.155732 1.369098
H -3.322843 -1.742524 3.318398
H -2.647193 -0.461659 2.236668
H -2.121989 -4.312149 -0.173675
H -4.490583 0.086821 0.398802
H 0.051391 -0.293554 -3.449805
H -4.969469 -0.071725 2.808304
H 2.113680 -1.656119 -3.130881
H 0.681928 1.210608 -0.193118
H -6.774309 2.832071 0.467728
H -6.624203 1.101082 0.725801
H 4.281275 -1.803796 -1.928027
H 2.815040 0.981533 1.063805
H 5.338099 -2.651912 -0.075053
H 5.029175 1.524788 1.094539
H 7.509388 -2.828573 1.134139
H 7.172332 1.330691 2.348497
H 8.438973 -0.843266 2.369632


