%chk=000179560.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000179560

1 1
O -0.464400 -2.716154 -0.625472
O 1.950986 -3.749098 -0.679465
O -4.700749 1.974936 -0.025507
O -4.549794 -0.817981 0.522506
N 2.490453 2.668895 -0.038046
C 1.226362 1.796960 0.198740
C 3.653502 2.066994 0.758554
C 1.506808 0.325726 -0.016923
C 0.061020 2.270943 -0.686362
C 4.001858 0.666315 0.259911
C 2.797069 -0.198713 0.010379
C 2.240409 4.072190 0.477614
C 2.853913 2.745904 -1.504766
C 0.367919 -0.519870 -0.194003
C -1.150671 1.435272 -0.365849
C -0.984605 0.058903 -0.130675
C 3.023111 -1.573379 -0.210588
C 0.600739 -1.880948 -0.421066
C 1.935522 -2.401414 -0.434457
C -2.415873 2.028283 -0.324159
C -2.116988 -0.721236 0.178290
C -3.544472 1.250603 -0.033211
C -3.382572 -0.145766 0.225874
C 3.236504 -4.424487 -0.720399
C -5.954785 1.283892 0.230043
C -4.472228 -2.256291 0.697057
H 0.940806 1.936656 1.283374
H 3.363915 2.026386 1.836965
H 4.542160 2.735760 0.693624
H 0.283495 2.141924 -1.769513
H -0.155034 3.347294 -0.534951
H 4.661770 0.177619 1.018336
H 4.625769 0.710937 -0.661013
H 3.109628 4.733797 0.306865
H 1.370794 4.540902 -0.024655
H 2.025027 4.078787 1.562752
H 2.849142 1.737407 -1.968540
H 2.136222 3.364338 -2.074647
H 3.857335 3.180918 -1.656253
H 4.035790 -1.969657 -0.199033
H -2.557610 3.090842 -0.520131
H -1.992567 -1.789526 0.380470
H -0.158669 -3.648778 -0.838985
H 3.731167 -4.353896 0.252742
H 3.849257 -4.023073 -1.532512
H 2.929951 -5.460138 -0.932237
H -6.676603 2.107267 0.160417
H -5.940622 0.839364 1.231109
H -6.129187 0.524925 -0.539669
H -5.527316 -2.510640 0.869649
H -3.863152 -2.500389 1.571941
H -4.098108 -2.733608 -0.213427


%chk=000179560-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000179560

1 1
O -0.432944 -2.838120 -0.538865
O 1.965326 -3.820806 -0.658999
O -4.757788 2.022045 0.136814
O -4.588711 -0.846052 0.642126
N 2.508350 2.691118 -0.031347
C 1.230700 1.804149 0.167471
C 3.669244 2.033135 0.742959
C 1.521108 0.316686 -0.064615
C 0.055557 2.268910 -0.713522
C 4.048406 0.685210 0.134623
C 2.833476 -0.208445 -0.076493
C 2.276932 4.074347 0.568273
C 2.870992 2.841958 -1.504690
C 0.364588 -0.538430 -0.198833
C -1.160939 1.442221 -0.330394
C -0.998362 0.043827 -0.113102
C 3.046727 -1.595345 -0.282099
C 0.609473 -1.922948 -0.387546
C 1.939885 -2.436551 -0.445304
C -2.432641 2.031153 -0.247077
C -2.156428 -0.719521 0.198041
C -3.589531 1.275410 0.057158
C -3.433788 -0.130047 0.298507
C 3.267251 -4.498482 -0.731941
C -6.100070 1.411664 -0.000664
C -4.458730 -2.290447 0.873751
H 0.957750 1.975383 1.230712
H 3.310853 1.913813 1.780280
H 4.512411 2.745369 0.733579
H 0.296696 2.100258 -1.782003
H -0.169507 3.340640 -0.574842
H 4.755565 0.199962 0.833170
H 4.612167 0.827781 -0.808336
H 3.175089 4.688283 0.398068
H 1.410935 4.549518 0.087846
H 2.093387 3.972675 1.648845
H 2.858486 1.855284 -1.987374
H 2.137089 3.499736 -1.990741
H 3.874068 3.291618 -1.574424
H 4.066263 -1.992086 -0.298955
H -2.575604 3.101691 -0.426835
H -2.044110 -1.790492 0.361418
H -0.032319 -3.736124 -0.707062
H 3.815228 -4.390443 0.222070
H 3.868046 -4.098211 -1.569241
H 3.033815 -5.556885 -0.911414
H -6.776233 2.276144 -0.077496
H -6.345898 0.796703 0.877467
H -6.158178 0.796317 -0.914664
H -5.477653 -2.632845 1.104164
H -3.791228 -2.497557 1.731507
H -4.082802 -2.807274 -0.029271


