%chk=000211239.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000211239

0 1
I 2.680511 -0.849785 2.495149
I 3.718698 -0.783472 -3.526888
I 6.451776 3.231361 -0.158443
O -4.239593 -0.281323 -0.178368
O -1.736378 2.114522 -0.250011
O -2.979307 1.783279 1.588044
O 0.603561 -0.268170 -0.621987
N 0.171587 -2.505678 -0.247329
N 4.793113 1.605311 2.194574
C -5.006216 1.821009 -0.913693
C -3.744254 0.991069 -0.662527
C -5.875803 1.988634 0.339794
C -3.369317 -1.347680 -0.066312
C -7.128946 2.805663 0.045937
C 2.486040 -1.793808 -0.591347
C -2.847916 1.637000 0.401432
C -1.247651 -2.463781 -0.082306
C 3.395327 -0.606451 -0.452992
C -1.988883 -1.285437 -0.269399
C 1.022060 -1.393951 -0.482935
C -4.033051 -2.536189 0.296499
C -1.884278 -3.671296 0.276556
C 3.650929 -0.047644 0.804010
C -3.270096 -3.688327 0.461067
C 4.024653 -0.053787 -1.579006
C 4.524465 1.065531 0.958342
C 4.885191 1.040449 -1.460355
C 5.138680 1.591618 -0.213956
H -5.600371 1.322839 -1.709316
H -4.714655 2.810817 -1.319891
H -3.162863 0.823633 -1.602870
H -6.150879 0.985689 0.729702
H -5.289900 2.465676 1.153148
H -6.884973 3.813585 -0.308256
H -7.742265 2.917828 0.948381
H -7.756515 2.329614 -0.716063
H 2.638549 -2.301385 -1.580868
H 2.766150 -2.567187 0.162582
H -1.479968 -0.359025 -0.554616
H 0.599077 -3.425205 -0.112029
H -5.108909 -2.530583 0.444619
H -1.315662 -4.584264 0.415862
H -3.760546 -4.622307 0.740933
H 5.360151 1.462747 -2.356647
H -1.043792 2.489726 0.357109
H 4.311879 1.278885 3.024358
H 5.375289 2.429650 2.284310


%chk=000211239-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000211239

0 1
I 3.076848 -1.012793 2.578409
I 3.414710 -0.596028 -3.651609
I 6.584044 3.258577 -0.212565
O -4.315041 -0.353642 -0.150956
O -2.191599 2.623137 0.142054
O -3.012992 1.260289 1.842453
O 0.606088 -0.206537 -0.584127
N 0.178436 -2.477943 -0.157291
N 5.117236 1.481938 2.157839
C -4.968999 1.840275 -0.924052
C -3.769162 0.951945 -0.523775
C -5.992136 2.077586 0.208468
C -3.431272 -1.438887 0.001582
C -7.201159 2.902903 -0.280204
C 2.494242 -1.806009 -0.599251
C -2.978195 1.574861 0.638717
C -1.239955 -2.502248 -0.004935
C 3.441142 -0.630678 -0.496552
C -2.032532 -1.338214 -0.172393
C 1.008905 -1.394745 -0.436034
C -4.047712 -2.669143 0.330947
C -1.842465 -3.743903 0.323957
C 3.850426 -0.113595 0.760963
C -3.242234 -3.813398 0.488869
C 3.958773 0.015219 -1.652817
C 4.740616 0.999660 0.919828
C 4.840109 1.111584 -1.554843
C 5.223806 1.586294 -0.292403
H -5.468305 1.344297 -1.778528
H -4.567682 2.804981 -1.289277
H -3.083348 0.851669 -1.388207
H -6.330202 1.100457 0.598752
H -5.503934 2.600758 1.054149
H -6.884463 3.893558 -0.658866
H -7.926201 3.070532 0.536764
H -7.732427 2.384147 -1.100703
H 2.596252 -2.274588 -1.596552
H 2.752962 -2.577634 0.150070
H -1.527418 -0.401959 -0.413667
H 0.640901 -3.381576 -0.029663
H -5.132805 -2.704311 0.460108
H -1.226242 -4.642078 0.453778
H -3.708704 -4.770527 0.745110
H 5.223589 1.592211 -2.456593
H -1.657608 3.022244 0.881081
H 4.750930 1.063519 3.010299
H 5.749475 2.277196 2.225664


