%chk=000145058.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000145058

0 1
O -1.111575 1.631309 2.200434
N -0.188486 0.396172 0.536172
N 5.044284 -1.718093 2.563902
C 2.007643 0.389989 -0.690657
C 2.625760 -0.006519 -2.048614
C 0.489134 0.300148 -0.743827
C 1.858607 0.608511 -3.223447
C 2.590528 -0.476030 0.443280
C 0.405473 0.114094 -3.233111
C -0.222160 0.194045 -1.877593
C 4.092804 -0.222909 0.648948
C -0.848626 -0.839435 1.047973
C -0.451500 1.627841 1.174332
C -2.224422 -1.039814 0.455429
C 0.140637 2.865136 0.528646
C 4.620891 -1.055254 1.717362
C -3.289185 -0.231940 0.882158
C -2.445586 -2.033670 -0.507678
C 0.035403 4.068018 1.456189
C -4.565530 -0.419375 0.347882
C -3.726280 -2.219210 -1.037716
C -4.786513 -1.413417 -0.612075
H 2.255552 1.467907 -0.482893
H 2.630706 -1.110145 -2.149484
H 3.684951 0.308900 -2.083647
H 1.879392 1.713306 -3.155941
H 2.354490 0.351771 -4.178187
H 2.409290 -1.548261 0.231439
H 2.054505 -0.266651 1.393996
H -0.189569 0.701659 -3.961881
H 0.361174 -0.937799 -3.589632
H -1.314068 0.148785 -1.862952
H 4.657662 -0.424707 -0.291720
H 4.274940 0.851657 0.886302
H -0.928459 -0.750858 2.162464
H -0.186355 -1.708054 0.839731
H 1.202603 2.691379 0.244638
H -0.396776 3.063682 -0.423902
H -3.109503 0.543814 1.633960
H -1.624691 -2.663380 -0.844225
H 0.635412 3.929569 2.365245
H 0.370064 4.986092 0.962962
H -1.000982 4.220038 1.793661
H -5.390385 0.207999 0.682107
H -3.897336 -2.994629 -1.781987
H -5.782621 -1.560273 -1.024346


%chk=000145058-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000145058

0 1
O -1.196145 1.921592 2.232402
N -0.214366 0.624626 0.567609
N 4.813414 -2.202544 2.603629
C 2.002109 0.333349 -0.688024
C 2.526232 -0.098639 -2.085223
C 0.473164 0.497833 -0.710100
C 1.863877 0.697589 -3.230205
C 2.472424 -0.637788 0.431035
C 0.337548 0.458591 -3.247161
C -0.257685 0.542200 -1.857781
C 4.019116 -0.644852 0.590806
C -0.807231 -0.608066 1.180636
C -0.506877 1.857108 1.165286
C -2.123428 -1.032120 0.538282
C 0.013757 3.120792 0.465815
C 4.465737 -1.501408 1.702674
C -3.315838 -0.307644 0.804752
C -2.179567 -2.150243 -0.330342
C 0.086366 4.323444 1.425944
C -4.534929 -0.693926 0.205833
C -3.400217 -2.540671 -0.928336
C -4.581421 -1.810884 -0.663067
H 2.441957 1.329580 -0.447411
H 2.319448 -1.180096 -2.225295
H 3.624481 0.028684 -2.131823
H 2.065864 1.778230 -3.090110
H 2.307149 0.410747 -4.202124
H 2.128459 -1.665811 0.206587
H 2.021127 -0.338805 1.393990
H -0.162633 1.194946 -3.906661
H 0.109625 -0.536801 -3.684092
H -1.347293 0.648730 -1.774795
H 4.506803 -1.000435 -0.335834
H 4.382594 0.386056 0.772285
H -0.960782 -0.368858 2.247611
H -0.067351 -1.421734 1.096882
H 0.995703 2.931438 -0.003787
H -0.680220 3.346651 -0.369292
H -3.274270 0.550403 1.485545
H -1.264512 -2.720059 -0.536288
H 0.838187 4.157182 2.217601
H 0.356056 5.242672 0.875442
H -0.884740 4.475080 1.924735
H -5.450270 -0.131458 0.422488
H -3.430485 -3.410920 -1.593902
H -5.529642 -2.112367 -1.122517


