%chk=000213415.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000213415

0 1
O 0.278734 -1.683205 -0.169441
O 2.327412 -0.039122 -0.898391
N -3.354700 0.462834 0.112312
C -2.214342 -0.335919 0.669550
C -2.055746 -1.615209 -0.171580
C -2.911236 1.253650 -1.086439
C -3.956225 1.357504 1.157078
C -0.876635 -2.456951 0.299105
C -4.125546 1.660603 -1.922299
C -4.789159 0.531990 2.139694
C 1.525874 -2.085612 0.217011
C 2.566794 -1.175896 -0.120150
C 1.843283 -3.275404 0.880378
C 3.892687 -1.457328 0.196189
C 1.543001 0.975496 -0.347102
C 1.047592 1.893820 -1.306441
C 3.182215 -3.551299 1.190447
C 4.198641 -2.658035 0.852716
C 1.308972 1.123201 1.021064
C 0.307994 2.980716 -0.834719
C 1.324659 1.701822 -2.758168
C 0.559522 2.222711 1.456443
C 0.062015 3.145448 0.536319
H -2.437041 -0.609743 1.722890
H -1.250599 0.224098 0.683075
H -1.912927 -1.343073 -1.240935
H -2.990441 -2.209442 -0.138490
H -2.310789 2.148949 -0.812821
H -2.242819 0.608977 -1.702532
H -3.194145 1.952972 1.704511
H -4.621608 2.088481 0.644058
H -0.819407 -2.558564 1.394788
H -0.841740 -3.446576 -0.186364
H -3.817053 2.090915 -2.879781
H -4.751102 2.397036 -1.405835
H -4.763904 0.791154 -2.130540
H -5.364279 1.179436 2.808447
H -4.165298 -0.123549 2.757026
H -5.496512 -0.113726 1.601400
H 1.072290 -3.991407 1.146145
H 4.672788 -0.746526 -0.075892
H 3.426401 -4.482215 1.702396
H 5.233664 -2.886443 1.097531
H 1.701599 0.402297 1.733348
H -0.082701 3.711235 -1.542189
H 1.528575 0.642567 -2.990236
H 2.214366 2.269971 -3.066603
H 0.486893 2.021846 -3.389038
H 0.371479 2.354998 2.520582
H -0.515198 4.000715 0.878984


%chk=000213415-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000213415

0 1
O 0.307201 -1.594135 -0.089497
O 2.420247 -0.009420 -0.879090
N -3.482717 0.426671 0.044385
C -2.310045 -0.321055 0.579655
C -2.107647 -1.669239 -0.145800
C -3.141358 1.164494 -1.206220
C -4.108914 1.311056 1.065778
C -0.854550 -2.414508 0.317945
C -4.369966 1.447241 -2.091494
C -4.955472 0.536346 2.093736
C 1.584216 -2.040239 0.250757
C 2.663212 -1.186469 -0.129704
C 1.872869 -3.255527 0.917605
C 3.993877 -1.558640 0.126610
C 1.709384 1.068919 -0.284972
C 1.171251 2.015721 -1.197799
C 3.214738 -3.619227 1.180674
C 4.277515 -2.780224 0.783007
C 1.595089 1.226129 1.112710
C 0.501535 3.135368 -0.650074
C 1.314644 1.806126 -2.690447
C 0.921078 2.355871 1.628095
C 0.370946 3.314231 0.748002
H -2.486542 -0.526353 1.652623
H -1.374166 0.281196 0.517027
H -2.038264 -1.511212 -1.238136
H -2.992696 -2.310023 0.030936
H -2.602862 2.118816 -0.977283
H -2.428747 0.544196 -1.780541
H -3.339467 1.930618 1.594062
H -4.770599 2.019910 0.535511
H -0.843145 -2.541905 1.421218
H -0.781228 -3.412924 -0.159684
H -4.064114 1.956160 -3.025025
H -5.107023 2.096520 -1.584720
H -4.875383 0.500969 -2.352282
H -5.425461 1.233820 2.812525
H -4.347261 -0.180709 2.674645
H -5.750045 -0.031399 1.578855
H 1.062408 -3.925083 1.220200
H 4.791916 -0.882737 -0.196027
H 3.422912 -4.564955 1.692738
H 5.315263 -3.066630 0.980626
H 2.030524 0.480530 1.785962
H 0.075937 3.878166 -1.335821
H 0.918528 0.818455 -2.988972
H 2.377272 1.819077 -2.996116
H 0.780037 2.589736 -3.254146
H 0.832278 2.483901 2.712685
H -0.150903 4.192567 1.142778


