%chk=000213421.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000213421

0 1
O 0.605734 -1.482901 -1.941223
O -0.170681 0.870800 -0.979604
O -1.974984 -0.932523 -0.105753
N 3.181257 -0.451598 0.518383
C 3.125115 -0.342725 2.014624
C 4.473909 -1.071728 0.072115
C 4.288425 0.528368 2.517544
C 5.656010 -0.209141 0.544104
C 5.640133 -0.040352 2.068369
C 2.012854 -1.228599 -0.002036
C 1.652547 -0.677971 -1.401024
C 1.225730 0.801313 -1.380658
C -0.448023 0.882425 0.370265
C -1.502180 0.035147 0.786024
C 0.174539 1.722723 1.300332
C -1.968695 0.061768 2.100703
C -0.285919 1.734262 2.620683
C -1.349483 0.917040 3.018833
C -3.103692 -0.618644 -0.871799
C -3.366942 -1.571788 -1.886122
C -3.910786 0.497022 -0.656064
C -4.498942 -1.366409 -2.678285
C -2.461561 -2.738260 -2.080575
C -5.035347 0.670922 -1.472897
C -5.329587 -0.254845 -2.473750
H 2.157827 0.137173 2.283825
H 3.149944 -1.333161 2.517390
H 4.465223 -1.117349 -1.038175
H 4.597240 -2.114167 0.437554
H 4.246565 0.602747 3.619175
H 4.171563 1.559050 2.127743
H 5.603123 0.785777 0.058814
H 6.605690 -0.668016 0.214685
H 6.460479 0.628871 2.386704
H 5.827492 -1.012864 2.561547
H 1.136267 -1.124691 0.672688
H 2.192315 -2.322170 -0.083393
H 2.490336 -0.830593 -2.120454
H 1.871946 1.417930 -0.734485
H 1.166694 1.228166 -2.399668
H -0.282555 -1.220753 -1.545873
H 1.001803 2.360054 0.991859
H -2.790137 -0.590493 2.396103
H 0.189213 2.394729 3.346299
H -1.698960 0.942821 4.049744
H -3.674057 1.220851 0.119299
H -4.737482 -2.077107 -3.468894
H -2.652544 -3.517047 -1.327761
H -1.399061 -2.445887 -1.968772
H -2.565253 -3.196220 -3.071577
H -5.678268 1.536483 -1.321110
H -6.204535 -0.116040 -3.104756


%chk=000213421-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000213421

0 1
O 0.335775 0.787323 -2.467177
O -0.260756 0.828570 0.317619
O -2.496720 -0.611023 1.135807
N 3.052276 -0.598683 -0.210345
C 3.079671 -1.695019 0.792632
C 4.325335 -0.518892 -0.970744
C 4.238267 -1.495549 1.791113
C 5.523411 -0.284325 -0.027738
C 5.590782 -1.390988 1.049739
C 1.858633 -0.621275 -1.089702
C 1.377718 0.811781 -1.434359
C 0.907527 1.580154 -0.193686
C -1.069444 1.412962 1.291351
C -2.242801 0.683739 1.650155
C -0.799520 2.643516 1.936380
C -3.108879 1.173647 2.643710
C -1.679416 3.132863 2.929606
C -2.832760 2.402099 3.288163
C -2.652132 -0.833452 -0.256895
C -2.588864 -2.197334 -0.653108
C -2.899212 0.204689 -1.181787
C -2.775131 -2.483348 -2.026435
C -2.329048 -3.282076 0.371421
C -3.077198 -0.115027 -2.548400
C -3.013894 -1.460605 -2.974700
H 2.111904 -1.698067 1.327321
H 3.194874 -2.696379 0.299000
H 4.251292 0.306055 -1.703773
H 4.498552 -1.461538 -1.555417
H 4.251490 -2.336233 2.511352
H 4.057700 -0.565074 2.363920
H 5.405178 0.702186 0.461417
H 6.458493 -0.256702 -0.619901
H 6.410473 -1.187846 1.764651
H 5.818955 -2.362397 0.563460
H 1.035883 -1.147086 -0.570905
H 2.042911 -1.157686 -2.048703
H 2.206885 1.381321 -1.892646
H 1.707081 1.599160 0.571011
H 0.595715 2.604436 -0.474482
H -0.494030 0.404099 -2.073546
H 0.101601 3.209542 1.683060
H -3.989752 0.577362 2.900905
H -1.453871 4.083697 3.424203
H -3.511358 2.778367 4.060044
H -2.963402 1.242479 -0.839718
H -2.726101 -3.528565 -2.354600
H -3.133921 -3.316223 1.128706
H -1.391679 -3.090267 0.925072
H -2.259690 -4.272337 -0.110114
H -3.263518 0.687586 -3.269868
H -3.144981 -1.711239 -4.032370


