%chk=000218679.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000218679

1 1
O -3.702407 0.606172 0.463402
N -0.980765 2.270476 0.090387
N 0.867252 -0.774061 -0.963570
C -2.887315 -0.446152 -0.109842
C -3.818915 -1.487200 -0.771117
C -2.135016 -1.165294 1.026336
C -2.014568 0.306111 -1.139149
C -3.849072 -2.717481 0.149661
C -2.976610 -2.401391 1.378545
C -0.827279 1.013640 -0.570791
C 1.671129 1.318846 -0.171605
C 0.450655 0.491871 -0.616037
C 1.288926 2.109179 1.075721
C 2.755900 0.276634 -0.070009
C -0.039224 2.776446 0.864061
C 2.258394 -0.942419 -0.623004
C -2.247574 3.010154 -0.078438
C 4.063153 0.348576 0.373329
C 3.043312 -2.077622 -0.747372
C 4.868202 -0.802489 0.263077
C 4.371379 -1.983919 -0.289005
H -3.482935 -1.765362 -1.783885
H -4.830950 -1.061895 -0.911380
H -2.003946 -0.498459 1.895874
H -1.122241 -1.464453 0.715266
H -2.674949 1.015984 -1.691539
H -1.683104 -0.405582 -1.926347
H -3.471868 -3.610817 -0.379895
H -4.882370 -2.966139 0.451360
H -3.607352 -2.207742 2.265268
H -2.338668 -3.260402 1.649403
H 1.944717 2.030440 -1.002527
H 2.075108 2.860124 1.317212
H 1.240456 1.450057 1.978039
H 0.282944 -1.511616 -1.332652
H -4.366941 0.237950 1.083298
H -0.197367 3.724382 1.403273
H -2.250096 3.988844 0.431004
H -3.110214 2.414174 0.336321
H -2.474154 3.180974 -1.149575
H 4.471721 1.266181 0.795921
H 2.667990 -3.004386 -1.176992
H 5.902671 -0.763149 0.613699
H 5.021393 -2.860085 -0.370327


%chk=000218679-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000218679

1 1
O -3.160654 0.439527 0.967742
N -0.970652 2.307187 -0.035822
N 0.976996 -0.742678 -0.869053
C -2.791753 -0.585923 -0.048258
C -4.067668 -1.267361 -0.630502
C -2.035238 -1.752859 0.639959
C -1.988977 0.210050 -1.112679
C -4.314038 -2.557669 0.222345
C -3.168636 -2.593082 1.281214
C -0.800706 0.990965 -0.588038
C 1.684762 1.380368 -0.125855
C 0.499890 0.512051 -0.558764
C 1.247977 2.228129 1.078165
C 2.815364 0.366782 0.003698
C -0.055398 2.905660 0.732608
C 2.359381 -0.871501 -0.525983
C -2.260052 3.019416 -0.302234
C 4.141811 0.492643 0.440394
C 3.188840 -1.998333 -0.637848
C 4.994990 -0.639698 0.354555
C 4.524056 -1.862163 -0.181211
H -3.908974 -1.528815 -1.693296
H -4.915485 -0.560627 -0.597817
H -1.277365 -1.397810 1.359533
H -1.528597 -2.369448 -0.131830
H -2.694342 0.875185 -1.642910
H -1.632054 -0.503980 -1.878714
H -4.265604 -3.454522 -0.419837
H -5.309589 -2.560405 0.697140
H -3.494924 -2.137650 2.238075
H -2.846537 -3.619661 1.522348
H 1.918197 2.069184 -0.970170
H 2.003656 2.988079 1.336314
H 1.106881 1.595796 1.984494
H 0.392999 -1.530198 -1.150726
H -3.678751 0.009722 1.693899
H -0.310802 3.884459 1.144372
H -2.235150 4.001776 0.190632
H -3.078282 2.408049 0.109687
H -2.384762 3.159840 -1.387920
H 4.522950 1.437890 0.841437
H 2.833870 -2.944410 -1.058468
H 6.030142 -0.565539 0.701146
H 5.201627 -2.719323 -0.246426


