%chk=000191002.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000191002

0 1
O 4.939840 0.657852 0.247799
N 10.370661 -0.608747 0.006924
C -3.705766 -0.415142 -0.126958
C -4.986847 0.385019 0.144844
C -2.451200 0.420617 0.160757
C -6.241672 -0.450453 -0.142710
C -1.170036 -0.379480 -0.110824
C -7.522695 0.349735 0.129288
C 0.083665 0.457362 0.176956
C -8.777752 -0.485466 -0.158132
C 1.365142 -0.342553 -0.094126
C -10.058421 0.314905 0.113722
C 2.612895 0.497998 0.194545
C -11.314830 -0.519521 -0.172869
C 3.886769 -0.300555 -0.076242
C -12.592627 0.272388 0.095974
C 6.249974 0.240355 0.130061
C 6.671367 -1.015674 -0.316061
C 7.173888 1.238393 0.509374
C 8.042283 -1.282047 -0.388264
C 8.531343 0.965774 0.434549
C 8.976386 -0.300381 -0.015563
H -3.697138 -1.332748 0.492389
H -3.694687 -0.761312 -1.178465
H -4.998420 0.731307 1.196343
H -4.996009 1.302736 -0.474331
H -2.460556 1.338387 -0.458457
H -2.463128 0.767016 1.212293
H -6.232905 -1.368122 0.476500
H -6.230608 -0.796587 -1.194209
H -1.161641 -1.296837 0.509003
H -1.159246 -0.725810 -1.162334
H -7.534139 0.695949 1.180789
H -7.531871 1.267488 -0.489795
H 0.074195 1.375293 -0.442456
H 0.071549 0.804506 1.228525
H -8.766513 -0.831691 -1.209589
H -8.768902 -1.403026 0.461209
H 1.372941 -1.259105 0.527807
H 1.375340 -0.688106 -1.146388
H -10.069006 1.232599 -0.505126
H -10.071059 0.662149 1.164683
H 2.617440 1.421008 -0.420383
H 2.615149 0.851867 1.245772
H -11.304495 -0.865914 -1.224845
H -11.306624 -1.437055 0.447472
H 3.990948 -0.594688 -1.133679
H 3.990565 -1.177495 0.584084
H -12.652893 0.598756 1.140426
H -12.650860 1.169445 -0.530855
H -13.483433 -0.330959 -0.111117
H 5.962638 -1.784977 -0.604298
H 6.803805 2.201766 0.855104
H 8.378497 -2.260504 -0.724219
H 9.253675 1.722333 0.734844
H 10.979445 0.194251 -0.084727
H 10.649877 -1.336999 -0.637616


%chk=000191002-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000191002

0 1
O 5.085323 0.806185 0.323289
N 10.492754 -0.783301 -0.273517
C -3.733489 -0.388782 -0.107852
C -5.049954 0.374434 0.161328
C -2.469782 0.445997 0.198672
C -6.316521 -0.455996 -0.145409
C -1.150644 -0.313348 -0.068354
C -7.630965 0.310712 0.123890
C 0.108478 0.528380 0.236921
C -8.899499 -0.517055 -0.182602
C 1.430781 -0.226595 -0.026802
C -10.212837 0.252453 0.084266
C 2.678129 0.634173 0.276149
C -11.482253 -0.575107 -0.221141
C 3.985152 -0.119164 0.016636
C -12.788955 0.203866 0.043457
C 6.403424 0.329607 0.147523
C 6.744178 -0.971324 -0.293650
C 7.434702 1.253024 0.445941
C 8.101878 -1.338776 -0.432771
C 8.784574 0.886278 0.307358
C 9.145008 -0.420829 -0.135988
H -3.716986 -1.316650 0.501724
H -3.709418 -0.714380 -1.169110
H -5.073671 0.699505 1.222765
H -5.065065 1.302972 -0.447298
H -2.487354 1.373557 -0.411303
H -2.495365 0.772462 1.259590
H -6.302698 -1.384242 0.463694
H -6.293356 -0.781332 -1.206790
H -1.130967 -1.239533 0.543666
H -1.125051 -0.641205 -1.128864
H -7.653830 0.636142 1.185243
H -7.643968 1.239142 -0.484956
H 0.088371 1.453491 -0.376165
H 0.081409 0.857830 1.296557
H -8.876139 -0.844040 -1.243517
H -8.888156 -1.444523 0.427825
H 1.453522 -1.148744 0.591229
H 1.455354 -0.559437 -1.085797
H -10.225843 1.179423 -0.526882
H -10.237372 0.580492 1.144827
H 2.666876 1.549229 -0.347034
H 2.662194 0.966260 1.332180
H -11.455231 -0.905613 -1.279785
H -11.470570 -1.499266 0.392461
H 4.050516 -0.443593 -1.044589
H 4.058369 -1.020005 0.663815
H -12.853077 0.521781 1.101415
H -12.840753 1.114597 -0.582863
H -13.680859 -0.410546 -0.179331
H 5.970983 -1.707898 -0.532277
H 7.157275 2.255980 0.785756
H 8.350920 -2.350763 -0.775805
H 9.569367 1.615698 0.543293
H 11.232698 -0.122216 -0.060143
H 10.752688 -1.714107 -0.583479


