%chk=000236251.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000236251

0 1
O 1.720034 -0.604286 2.225883
O -0.907663 -0.665056 2.001622
N -1.989199 -0.487510 0.022682
C 1.637752 -1.127357 0.904682
C 3.047743 -0.945434 0.303249
C 1.373352 -2.654188 0.948852
C 0.527681 -0.389789 0.079236
C 3.438185 -2.280081 -0.350809
C 2.272940 -3.266572 -0.131423
C -0.823974 -0.511199 0.781613
C 0.848600 1.068108 -0.140018
C 1.071992 1.546795 -1.440559
C 0.931427 1.950315 0.948290
C -2.022351 -0.232954 -1.439081
C -3.301923 -0.620362 0.716475
C -1.619516 -1.490154 -2.231213
C -3.925936 0.755734 1.003613
C 1.360267 2.898865 -1.647462
C 1.219617 3.299731 0.734964
C 1.430421 3.778091 -0.562772
C -1.699365 -1.241314 -3.732397
C -5.291799 0.606419 1.664943
H 3.745286 -0.678549 1.123519
H 3.096057 -0.107094 -0.409420
H 0.314894 -2.918674 0.817661
H 1.654301 -3.028448 1.953107
H 0.485457 -0.924523 -0.911748
H 3.648934 -2.150553 -1.424875
H 4.366567 -2.671472 0.101110
H 2.642447 -4.259964 0.172799
H 1.710905 -3.419303 -1.068620
H 0.834774 -0.669666 2.693638
H 1.032683 0.869020 -2.290495
H 0.791858 1.565697 1.963070
H -1.353742 0.622140 -1.690354
H -3.046816 0.089556 -1.731895
H -3.142019 -1.169338 1.677519
H -3.976976 -1.243267 0.092870
H -2.270063 -2.340946 -1.947942
H -0.587208 -1.795239 -1.948873
H -4.016200 1.344238 0.071003
H -3.246862 1.337341 1.661627
H 1.533891 3.266699 -2.657012
H 1.284546 3.979308 1.583654
H 1.653735 4.830091 -0.726360
H -1.043685 -0.420982 -4.047481
H -1.397679 -2.132853 -4.296156
H -2.717843 -0.988308 -4.050779
H -5.222431 0.066835 2.617813
H -5.732287 1.587055 1.882011
H -5.999309 0.063798 1.028346


%chk=000236251-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000236251

0 1
O 1.710450 -0.572003 2.420807
O -0.939002 -0.511199 2.106921
N -1.909691 -0.516600 0.009155
C 1.674428 -1.083824 1.055114
C 3.093691 -0.976280 0.452073
C 1.409538 -2.623483 0.994848
C 0.596671 -0.310628 0.186217
C 3.128575 -2.006336 -0.706138
C 2.105762 -3.128925 -0.303547
C -0.801298 -0.457176 0.827603
C 0.927332 1.167024 -0.038630
C 1.394651 1.601551 -1.306525
C 0.800040 2.123215 1.003095
C -1.873768 -0.389931 -1.466460
C -3.247671 -0.644591 0.643555
C -1.793285 -1.749025 -2.202931
C -3.880221 0.724722 0.984084
C 1.729039 2.955240 -1.534672
C 1.133170 3.476644 0.775981
C 1.598262 3.899699 -0.491196
C -1.839216 -1.571891 -3.735613
C -5.283526 0.563762 1.605639
H 3.794646 -1.261672 1.258207
H 3.348078 0.049203 0.137231
H 0.336153 -2.882937 1.038256
H 1.888689 -3.057269 1.891429
H 0.592522 -0.812227 -0.797971
H 2.826194 -1.530829 -1.659197
H 4.144532 -2.409100 -0.863425
H 2.613639 -4.094231 -0.129641
H 1.373410 -3.302036 -1.115483
H 0.748554 -0.557112 2.721463
H 1.510401 0.870962 -2.118735
H 0.449410 1.803428 1.988761
H -1.035506 0.262194 -1.765409
H -2.797675 0.136026 -1.776116
H -3.129776 -1.232973 1.569650
H -3.901664 -1.208044 -0.049722
H -2.630424 -2.393658 -1.871069
H -0.861671 -2.271624 -1.908770
H -3.943295 1.345485 0.067888
H -3.209839 1.251698 1.687405
H 2.091337 3.270364 -2.519918
H 1.035267 4.202645 1.591229
H 1.856499 4.950811 -0.662504
H -0.998237 -0.948229 -4.093164
H -1.776976 -2.547070 -4.250198
H -2.778764 -1.082418 -4.054372
H -5.238572 -0.024746 2.540842
H -5.724179 1.547074 1.848872
H -5.975188 0.046724 0.913185


