%chk=000200508.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000200508

0 1
O -0.689739 0.666061 0.581994
O -0.268201 1.681106 -1.418887
N 2.333172 0.710738 0.051628
N 4.608067 -1.071995 0.316228
C 3.726666 1.192264 -0.203445
C 2.339200 -0.402981 1.058557
C 4.586352 0.017180 -0.714724
C 3.209410 -1.564579 0.543289
C 1.366397 1.776810 0.468947
C 1.738218 3.210924 0.105230
C 5.490254 -2.192423 -0.126959
C 0.087483 1.404667 -0.308171
C -1.919726 0.121967 0.166578
C -1.986687 -1.275422 0.031736
C -3.041841 0.956544 0.001547
C -4.369858 -1.044080 -0.416320
C -3.233663 -1.848576 -0.256049
C -4.269732 0.351115 -0.288488
C -0.772532 -2.126191 0.185383
C -2.914672 2.436749 0.119390
C -5.695122 -1.660096 -0.731613
H 4.199371 1.635716 0.699718
H 3.692440 1.973310 -0.993855
H 1.281295 -0.762968 1.175164
H 2.699947 -0.077989 2.058109
H 4.200937 -0.325274 -1.700340
H 5.627556 0.371096 -0.870701
H 3.242187 -2.365006 1.312880
H 2.749527 -2.000679 -0.370730
H 1.138645 1.734399 1.570823
H 0.927489 3.905373 0.363421
H 2.634744 3.548660 0.637489
H 1.917429 3.323924 -0.975362
H 6.518174 -1.812861 -0.244169
H 5.191203 -2.677877 -1.067519
H 5.520711 -2.958248 0.664791
H -3.312181 -2.927864 -0.361540
H -5.154722 0.968845 -0.421971
H -0.430840 -2.497151 -0.792345
H 0.071705 -1.558139 0.627507
H -0.958872 -2.996019 0.827341
H -3.884810 2.945291 0.168982
H -2.344221 2.721166 1.014821
H -2.374344 2.840302 -0.755853
H -6.465643 -1.343994 -0.014464
H -6.039121 -1.360640 -1.732590
H -5.669452 -2.757054 -0.714657


%chk=000200508-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000200508

0 1
O -0.840519 0.841878 0.619259
O 0.008758 1.390234 -1.496574
N 2.336173 0.619581 0.454313
N 4.674769 -1.055332 0.281947
C 3.052480 0.451999 -0.834022
C 3.260843 0.495705 1.605545
C 3.739619 -0.923275 -0.861006
C 3.957654 -0.876080 1.565819
C 1.386205 1.766024 0.538042
C 1.923059 3.134744 0.050381
C 5.448028 -2.310440 0.239080
C 0.142245 1.345212 -0.256041
C -2.028542 0.226124 0.080223
C -1.943134 -1.053450 -0.514260
C -3.250799 0.914759 0.269900
C -4.407675 -1.008117 -0.772315
C -3.158364 -1.652598 -0.931978
C -4.433139 0.273668 -0.165137
C -0.612193 -1.753168 -0.705620
C -3.277215 2.290249 0.907170
C -5.694326 -1.666924 -1.241263
H 3.832949 1.236449 -0.979494
H 2.328167 0.524691 -1.663766
H 2.680725 0.583445 2.542993
H 4.045360 1.291949 1.600455
H 2.951554 -1.720351 -0.841012
H 4.312911 -1.030205 -1.801108
H 4.689047 -0.941944 2.393616
H 3.184164 -1.672441 1.719822
H 1.081151 1.840788 1.596572
H 1.194317 3.936590 0.268691
H 2.868846 3.381875 0.564951
H 2.099484 3.127311 -1.038247
H 6.013309 -2.366659 -0.708606
H 4.810230 -3.227954 0.316081
H 6.174276 -2.328809 1.071763
H -3.120609 -2.647860 -1.392256
H -5.393265 0.787145 -0.028366
H -0.116435 -1.390927 -1.626637
H 0.081511 -1.552169 0.129807
H -0.750701 -2.843694 -0.800158
H -4.314372 2.634216 1.058075
H -2.761208 2.291216 1.884060
H -2.760707 3.034096 0.271185
H -6.451599 -1.694769 -0.435847
H -6.141701 -1.113144 -2.088796
H -5.518732 -2.703537 -1.576442


