%chk=000184842.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000184842

0 1
O 7.646565 -1.287061 0.792142
N -0.893724 0.376157 -0.046928
N 1.884247 1.231239 -0.225372
C 0.235878 -0.543267 0.324239
C -0.485814 1.790449 0.255627
C 1.481236 -0.185558 -0.509178
C 0.755373 2.153482 -0.583257
C -2.150815 0.009779 0.706325
C 3.121414 1.604251 -0.992244
C -2.571328 -1.417354 0.382176
C -3.295081 0.937039 0.319896
C 4.309323 0.818992 -0.493150
C -3.015559 -2.249839 1.420049
C -4.136250 1.438704 1.323926
C -2.545372 -1.903447 -0.933407
C -3.535441 1.277051 -1.019745
C 4.574405 0.743271 0.883148
C 5.166873 0.181860 -1.405749
C -3.429701 -3.555771 1.141704
C -5.207373 2.272206 0.988340
C -2.957792 -3.209733 -1.206235
C -4.605266 2.112020 -1.349867
C -3.401240 -4.038407 -0.170041
C -5.443687 2.610959 -0.347191
C 5.685522 0.043412 1.357009
C 6.284647 -0.519958 -0.959613
C 6.526305 -0.577150 0.422449
H -0.064472 -1.588939 0.095081
H 0.484650 -0.501566 1.407037
H -0.269696 1.953401 1.334101
H -1.320671 2.470752 -0.020404
H 2.322883 -0.850588 -0.215089
H 1.276871 -0.368187 -1.586431
H 0.496237 2.121868 -1.664134
H 1.063602 3.193491 -0.344178
H -1.977759 0.091986 1.816618
H 3.315800 2.689119 -0.816276
H 3.001229 1.482948 -2.091702
H -3.045494 -1.883517 2.444002
H -3.964200 1.178336 2.366134
H -2.194488 -1.255574 -1.738344
H -2.876874 0.888636 -1.798322
H 3.894114 1.230141 1.586357
H 4.962277 0.233418 -2.475037
H -3.776117 -4.197282 1.949908
H -5.859318 2.656643 1.770604
H -2.935849 -3.582415 -2.228750
H -4.788209 2.372499 -2.390804
H -3.724263 -5.054644 -0.384753
H -6.278061 3.258860 -0.606475
H 5.887695 -0.015497 2.420681
H 6.963060 -1.017797 -1.647752
H 7.771607 -1.297319 1.771276


%chk=000184842-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000184842

0 1
O 7.908553 -0.936566 1.041671
N -0.899900 0.301371 -0.074778
N 1.879477 1.116361 -0.403452
C 0.229048 -0.606090 0.276192
C -0.469966 1.711063 0.133491
C 1.461724 -0.294727 -0.583783
C 0.759699 2.029681 -0.730767
C -2.144317 -0.043874 0.678100
C 3.123406 1.449168 -1.135306
C -2.620094 -1.469582 0.346950
C -3.279244 0.952566 0.388256
C 4.360802 0.779613 -0.545308
C -3.232619 -2.256751 1.351438
C -3.994158 1.544763 1.456374
C -2.515170 -1.996177 -0.965347
C -3.657338 1.263501 -0.943071
C 4.509667 0.645463 0.856938
C 5.411040 0.323765 -1.381009
C -3.740639 -3.541669 1.054017
C -5.071737 2.426098 1.205984
C -3.016460 -3.281243 -1.264997
C -4.726739 2.147996 -1.197108
C -3.635617 -4.058667 -0.257654
C -5.442013 2.730763 -0.123113
C 5.674992 0.077623 1.413889
C 6.585651 -0.241164 -0.841991
C 6.715823 -0.362091 0.559559
H -0.079847 -1.651243 0.107901
H 0.504973 -0.497415 1.355530
H -0.214731 1.899397 1.207040
H -1.295380 2.386840 -0.144901
H 2.296251 -0.953407 -0.284059
H 1.220432 -0.510882 -1.656033
H 0.465265 1.953566 -1.808941
H 1.081036 3.070697 -0.536846
H -1.950357 -0.005466 1.782761
H 3.241725 2.551016 -1.081033
H 3.052206 1.193564 -2.224224
H -3.317817 -1.860332 2.371342
H -3.705470 1.317663 2.490457
H -2.019806 -1.393875 -1.735229
H -3.100803 0.815758 -1.773509
H 3.689787 0.981106 1.501322
H 5.311588 0.409042 -2.470397
H -4.213236 -4.138242 1.842675
H -5.616068 2.875430 2.044417
H -2.924995 -3.677715 -2.282912
H -5.007032 2.381141 -2.230840
H -4.026669 -5.055477 -0.490919
H -6.275710 3.413903 -0.321056
H 5.773073 -0.021112 2.503575
H 7.398617 -0.594958 -1.482953
H 7.900995 -0.978093 2.030059


