%chk=000212339.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000212339

0 1
O -1.629841 -1.178234 -0.472199
O 0.278590 -2.226525 -1.081624
O 2.448245 -1.047311 0.109926
O 2.037709 0.814106 1.390648
N 0.301305 -0.325983 0.357191
N 5.958896 0.102803 -0.334058
C -2.073136 -0.023854 0.360281
C -2.792642 0.929127 -0.592223
C -2.967984 -0.609606 1.450857
C -4.078482 0.291556 -1.163000
C -4.251432 -1.228627 0.855032
C -4.987504 -0.196586 -0.019652
C -0.749098 0.569536 0.921149
C -4.814652 1.288819 -2.060850
C -5.160237 -1.748793 1.971269
C -0.264715 -1.353589 -0.470915
C 1.655752 -0.098349 0.688831
C 3.891209 -0.941880 0.365487
C 4.474526 0.166032 -0.519327
C 6.407698 1.070031 0.710734
C 6.673650 0.350612 -1.620098
H -2.121253 1.208175 -1.428345
H -3.039253 1.868781 -0.061630
H -3.231783 0.180627 2.179707
H -2.416664 -1.386312 2.017206
H -3.774688 -0.594066 -1.779648
H -3.944809 -2.090839 0.207383
H -5.327773 0.656747 0.594077
H -5.905635 -0.648525 -0.438742
H -0.574090 1.619168 0.601336
H -0.707466 0.565363 2.031561
H -4.180894 1.627445 -2.888255
H -5.708607 0.835820 -2.505308
H -5.140438 2.177752 -1.510369
H -6.056880 -2.227643 1.560677
H -4.649934 -2.497576 2.587712
H -5.496102 -0.947305 2.637727
H 4.061008 -0.774773 1.441181
H 4.221283 -1.954925 0.064704
H 4.188179 -0.020592 -1.577053
H 4.026801 1.147405 -0.248152
H 5.861586 0.875257 1.648083
H 6.272009 2.130192 0.451021
H 7.476694 0.897148 0.915587
H 7.757919 0.245395 -1.450506
H 6.490458 1.336085 -2.072012
H 6.386275 -0.427590 -2.346203


%chk=000212339-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000212339

0 1
O -1.654618 -0.785916 -1.059537
O 0.322024 -1.902649 -1.590038
O 2.362101 -0.985606 0.115848
O 1.902124 1.065823 1.164004
N 0.249151 -0.060436 -0.030348
N 6.026211 -0.055481 -0.052341
C -2.100179 0.232586 -0.019841
C -3.134613 1.145691 -0.690499
C -2.695235 -0.547646 1.170648
C -4.442490 0.403474 -1.065054
C -3.983708 -1.318791 0.794203
C -5.011295 -0.344152 0.167724
C -0.770692 0.946977 0.339573
C -5.471769 1.383028 -1.666134
C -4.561910 -2.049867 2.023826
C -0.268112 -1.024233 -0.951655
C 1.557640 0.080210 0.460902
C 3.788250 -0.893042 0.555106
C 4.627956 -0.177428 -0.519603
C 6.247348 1.114518 0.823008
C 7.027532 -0.142921 -1.132863
H -2.684206 1.602011 -1.592852
H -3.368370 1.972506 0.013805
H -2.931953 0.183471 1.972547
H -1.932400 -1.241041 1.576284
H -4.182980 -0.354793 -1.831770
H -3.712238 -2.071639 0.026568
H -5.325087 0.398653 0.934109
H -5.922289 -0.901667 -0.126794
H -0.627051 1.873864 -0.246259
H -0.695685 1.193452 1.410010
H -5.069611 1.891577 -2.562334
H -6.395425 0.854024 -1.965224
H -5.752623 2.162444 -0.931116
H -5.470518 -2.620395 1.756427
H -3.830913 -2.761225 2.451666
H -4.838212 -1.329307 2.818415
H 3.831601 -0.366169 1.523350
H 4.105008 -1.939490 0.669418
H 4.603743 -0.780061 -1.444593
H 4.166952 0.812042 -0.754875
H 5.504585 1.132151 1.638754
H 6.172607 2.087524 0.275061
H 7.251382 1.052272 1.279685
H 8.041160 -0.170089 -0.693177
H 6.989304 0.715909 -1.849680
H 6.881304 -1.075665 -1.705156


