%chk=000117714.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000117714

0 1
O -0.186280 -2.513113 -2.041006
N 4.956819 0.694853 0.104419
N -4.858251 0.963911 0.684580
C 3.733874 0.043702 -0.195202
C -3.723241 0.370769 0.076922
C 5.254378 0.947225 1.546315
C -6.142600 0.204823 0.606640
C 6.157857 0.273110 -0.677560
C -5.034394 2.435664 0.499615
C 2.648000 0.096711 0.722938
C -3.670937 -1.036204 -0.127288
C 3.539094 -0.570122 -1.463713
C -2.578212 1.158287 -0.228917
C 4.028825 1.592813 2.204958
C -5.893671 -1.246115 1.037142
C 5.806428 0.266862 -2.170529
C -3.713238 3.143173 0.826046
C 2.823799 0.652642 2.110123
C -4.876976 -1.906060 0.101481
C 4.672554 -0.726129 -2.440659
C -2.609311 2.658632 -0.118183
C 1.202793 -0.971008 -0.914428
C -1.349709 -0.850535 -0.833092
C 1.399129 -0.399608 0.349002
C -2.490581 -1.624998 -0.579358
C 2.282112 -1.068786 -1.803889
C -1.407879 0.538889 -0.667820
C -0.117055 -1.529949 -1.324808
H 6.125881 1.635685 1.602642
H 5.535032 0.012691 2.079942
H -6.579874 0.236986 -0.415429
H -6.870498 0.688239 1.294412
H 6.526108 -0.727480 -0.361195
H 6.971898 1.004284 -0.479390
H -5.832713 2.776834 1.194583
H -5.364249 2.685718 -0.532636
H 3.796006 2.552495 1.698990
H 4.249319 1.840388 3.258873
H -6.843742 -1.810115 1.041839
H -5.511833 -1.265982 2.078836
H 6.698861 0.013347 -2.770574
H 5.495661 1.284641 -2.484971
H -3.426908 2.931609 1.876973
H -3.839182 4.238210 0.750618
H 1.907794 1.190196 2.429515
H 2.940753 -0.192543 2.821438
H -5.347273 -2.130260 -0.879713
H -4.570554 -2.887195 0.518699
H 5.053071 -1.768278 -2.383258
H 4.305751 -0.597218 -3.479624
H -1.628345 3.040448 0.231025
H -2.756559 3.088566 -1.131821
H 0.565842 -0.355249 1.053551
H -2.443035 -2.703717 -0.751033
H 2.124462 -1.553185 -2.771293
H -0.528803 1.144348 -0.898829


%chk=000117714-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000117714

0 1
O -0.180446 -2.418453 -1.989938
N 5.186918 0.462193 0.115985
N -5.108360 0.923680 0.479426
C 3.891598 0.016220 -0.192392
C -3.883027 0.380573 0.060117
C 5.483562 1.082328 1.420624
C -6.348716 0.127918 0.411977
C 6.344238 0.039649 -0.695509
C -5.261928 2.376243 0.682058
C 2.792775 0.294930 0.690224
C -3.783095 -1.012563 -0.285498
C 3.644449 -0.725357 -1.400181
C -2.709887 1.205347 -0.027847
C 4.291495 1.915021 1.926159
C -6.076794 -1.352773 0.733500
C 5.966334 -0.082534 -2.182805
C -3.967665 3.001708 1.233129
C 3.036131 1.022919 2.007517
C -5.018073 -1.905706 -0.241229
C 4.795861 -1.074359 -2.336608
C -2.799219 2.697157 0.273650
C 1.233392 -0.843690 -0.856787
C -1.365859 -0.745570 -0.741085
C 1.497047 -0.125661 0.340542
C -2.543946 -1.537117 -0.678211
C 2.338617 -1.137128 -1.700068
C -1.484640 0.631400 -0.411914
C -0.107793 -1.385420 -1.232955
H 6.375684 1.726209 1.297255
H 5.742458 0.307231 2.178843
H -6.817795 0.208782 -0.595956
H -7.066074 0.553562 1.139767
H 6.747680 -0.934546 -0.334061
H 7.145036 0.792442 -0.563270
H -6.096903 2.535189 1.391365
H -5.541216 2.882699 -0.270872
H 4.115030 2.755522 1.228835
H 4.536230 2.340859 2.916836
H -7.019792 -1.924655 0.654641
H -5.715146 -1.436708 1.775628
H 6.847113 -0.422067 -2.758550
H 5.673998 0.913338 -2.565862
H -3.757673 2.578483 2.233441
H -4.108115 4.092445 1.348183
H 2.148384 1.625990 2.273889
H 3.170436 0.286746 2.827743
H -5.464095 -1.977710 -1.255237
H -4.726211 -2.933336 0.042318
H 5.160448 -2.099131 -2.114674
H 4.435565 -1.093007 -3.381316
H -1.843412 3.052693 0.701223
H -2.949811 3.265546 -0.668078
H 0.678347 0.072231 1.042321
H -2.462390 -2.593412 -0.961098
H 2.143810 -1.717852 -2.609630
H -0.608357 1.284402 -0.499664


