%chk=000105525.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000105525

0 1
O 6.344490 -2.212083 -0.558514
O 6.453140 1.521836 -2.490464
O -7.949828 -1.148534 -0.451362
O -8.032143 1.010442 -0.356733
N 4.620390 0.467164 0.645030
N -0.960381 0.247217 -0.436124
N -1.809233 0.121756 0.470809
N -7.427383 -0.050185 -0.342872
C 3.206726 0.367320 0.367684
C 5.243208 -0.801682 1.111300
C 5.438306 1.252360 -0.315608
C 2.313187 0.277169 1.474265
C 2.685764 0.429152 -0.937273
C 5.122339 -2.010278 0.164907
C 5.853787 0.552295 -1.622903
C 0.939132 0.228114 1.236358
C 2.811193 0.272870 2.882242
C 1.312339 0.394265 -1.167506
C 0.433051 0.283361 -0.076553
C -3.207418 0.089221 0.123825
C -3.848339 -1.158080 -0.010810
C -3.940670 1.291496 0.094256
C -5.962639 -0.001500 -0.182905
C -5.230516 -1.201542 -0.162496
C -5.322958 1.243906 -0.056916
H 4.772529 -1.050924 2.097033
H 6.317837 -0.600357 1.322464
H 6.347884 1.583042 0.236282
H 4.885136 2.189269 -0.565529
H 3.361609 0.508063 -1.796122
H 4.862696 -2.934015 0.709608
H 4.380480 -1.852244 -0.642935
H 6.542046 -0.299243 -1.459440
H 4.977351 0.203362 -2.207768
H 0.241654 0.157488 2.075635
H 3.468725 -0.591322 3.076221
H 3.411078 1.176965 3.081458
H 2.002294 0.245926 3.622670
H 0.920292 0.446658 -2.185864
H 7.037142 -2.577560 0.026183
H 7.352563 1.747944 -2.183864
H -3.265099 -2.079370 0.005602
H -3.428137 2.249491 0.189861
H -5.755130 -2.158511 -0.268752
H -5.918194 2.164477 -0.082281


%chk=000105525-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000105525

0 1
O 5.478176 -2.235422 -1.003157
O 6.651117 2.111525 -2.248728
O -8.167160 -0.523902 0.401770
O -7.844225 0.658527 -1.524735
N 4.628833 0.365256 0.491989
N -0.992428 0.480349 -0.363492
N -1.783960 -0.105609 0.515904
N -7.402588 0.056307 -0.467170
C 3.225752 0.370009 0.349534
C 5.369716 -0.785940 1.060518
C 5.445028 1.376972 -0.213717
C 2.333163 -0.189952 1.348902
C 2.642362 0.998050 -0.800891
C 5.050691 -2.146945 0.397575
C 6.021315 0.956883 -1.592958
C 0.950388 -0.168722 1.107549
C 2.801674 -0.685789 2.709655
C 1.260526 1.023733 -1.004941
C 0.385367 0.416721 -0.063673
C -3.170808 -0.017198 0.191386
C -4.052594 -0.642821 1.117643
C -3.704227 0.636022 -0.961597
C -5.944493 0.029672 -0.239457
C -5.441179 -0.623938 0.909523
C -5.088648 0.659884 -1.177788
H 5.189152 -0.885921 2.145913
H 6.447841 -0.567251 0.945534
H 6.288867 1.657542 0.452031
H 4.845245 2.291706 -0.356894
H 3.288835 1.432094 -1.567120
H 5.507250 -2.954052 1.010733
H 3.961210 -2.308319 0.364963
H 6.733213 0.113531 -1.487377
H 5.224349 0.635584 -2.279465
H 0.259615 -0.574337 1.854375
H 3.290693 -1.678390 2.673709
H 3.510263 0.024087 3.175215
H 1.935762 -0.780968 3.385519
H 0.829605 1.485106 -1.899211
H 6.464943 -2.312812 -1.042640
H 7.465102 2.375270 -1.749538
H -3.616425 -1.136040 1.991694
H -3.010295 1.110467 -1.660800
H -6.138248 -1.096773 1.605751
H -5.528475 1.151001 -2.049936


