%chk=000116675.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000116675

0 1
O -2.639294 1.523259 0.680874
O -5.441848 -1.047871 1.428424
O -4.537810 -1.132251 -0.614462
N -0.171072 -0.469707 0.694448
N -0.264836 -1.706826 -1.287579
C 0.373839 -0.778448 -0.629596
C 1.626563 -0.110922 -1.106213
C 2.816445 -0.448076 -0.195259
C -1.404681 -1.330500 0.819255
C 4.096685 0.248995 -0.670687
C -0.372389 0.959398 1.026818
C -1.457284 -2.133410 -0.510620
C 5.284097 -0.087043 0.241826
C 6.567526 0.610150 -0.228307
C -1.327946 1.722839 0.094628
C 7.755649 0.274543 0.684277
C -3.732167 1.680876 -0.254469
C -4.929231 1.058363 0.480373
C 9.036486 0.965365 0.221413
C -6.256023 1.602510 -0.041736
C -4.915064 -0.448279 0.307436
H 1.477947 0.985580 -1.165136
H 1.844068 -0.442999 -2.147489
H 2.963644 -1.547013 -0.174123
H 2.586040 -0.162160 0.850402
H -1.258032 -1.990483 1.695333
H -2.322727 -0.732974 0.984309
H 3.944465 1.344756 -0.700880
H 4.326598 -0.052959 -1.711257
H 0.623417 1.456125 1.040140
H -0.767894 1.013012 2.070947
H -2.381232 -1.929641 -1.095601
H -1.410676 -3.226404 -0.341535
H 5.054442 0.208338 1.283802
H 5.439190 -1.183336 0.267847
H 6.799492 0.312669 -1.269101
H 6.414749 1.705946 -0.256464
H -1.304907 1.341021 -0.940500
H -1.130842 2.808563 0.097770
H 7.526066 0.572140 1.726124
H 7.911389 -0.821867 0.710860
H -3.504398 1.161752 -1.204457
H -3.877652 2.759646 -0.436644
H -4.826920 1.290196 1.579218
H 8.929386 2.055933 0.219902
H 9.878408 0.719225 0.878072
H 9.313857 0.662250 -0.794629
H -6.388904 1.412129 -1.114944
H -7.107952 1.146719 0.482966
H -6.328840 2.686826 0.113576
H -5.468928 -2.039557 1.360848


%chk=000116675-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000116675

0 1
O -2.679319 1.209824 0.746197
O -6.092132 -0.544204 1.387134
O -4.932439 -0.673123 -0.618140
N -0.331992 -0.870594 0.396926
N 0.126500 -2.480557 -1.202581
C 0.461345 -1.312605 -0.682937
C 1.668804 -0.533880 -1.151164
C 2.884359 -0.660568 -0.192194
C -1.486186 -1.805378 0.539829
C 4.122655 0.108287 -0.703095
C -0.360938 0.486806 0.937605
C -1.055233 -2.976040 -0.409104
C 5.341318 -0.009452 0.239893
C 6.578935 0.771200 -0.257506
C -1.326657 1.461410 0.229968
C 7.795764 0.654874 0.688751
C -3.722345 1.907939 -0.009678
C -5.069768 1.493000 0.592974
C 9.024917 1.446459 0.192053
C -6.240670 2.306450 -0.026504
C -5.311948 0.006705 0.360469
H 1.418547 0.537638 -1.290972
H 1.942573 -0.938669 -2.140531
H 3.128675 -1.734513 -0.077680
H 2.613536 -0.293728 0.819026
H -1.605958 -2.119762 1.593331
H -2.424018 -1.320400 0.211172
H 3.863730 1.180526 -0.834545
H 4.398618 -0.269965 -1.709356
H 0.659924 0.907899 0.894025
H -0.649579 0.451494 2.006238
H -1.866803 -3.276084 -1.094242
H -0.745093 -3.873948 0.159658
H 5.060042 0.356720 1.249851
H 5.607367 -1.080094 0.361772
H 6.864198 0.405258 -1.266117
H 6.313054 1.842379 -0.380180
H -1.295747 1.304519 -0.870418
H -1.037556 2.515311 0.446141
H 7.506656 1.013132 1.698144
H 8.065047 -0.414853 0.804885
H -3.675510 1.620545 -1.082088
H -3.594382 3.009764 0.075937
H -5.044151 1.663835 1.683395
H 8.789911 2.523508 0.095810
H 9.879555 1.347745 0.886553
H 9.353552 1.086217 -0.801270
H -6.286375 2.162929 -1.121105
H -7.205830 1.994337 0.406937
H -6.103915 3.383090 0.178597
H -6.264137 -1.504984 1.188335


