%chk=000218724.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000218724

0 1
O 1.690905 -0.414983 -0.910270
O -4.048957 1.056422 1.794879
N -6.568963 -0.153321 -0.412692
N -3.812459 0.372185 -0.397165
C 6.493623 -0.592092 -0.176513
C 7.664814 -0.321225 0.777376
C 5.152462 -0.199636 0.458100
C 9.005571 -0.713683 0.142598
C 3.987304 -0.472539 -0.498415
C 10.178984 -0.443678 1.095049
C 2.654636 -0.080400 0.136506
C 11.516035 -0.832670 0.468203
C -6.065257 0.907162 0.509447
C -7.666643 0.378258 -1.291487
C -7.012469 -1.377940 0.335721
C 0.357441 -0.178506 -0.658366
C -4.551624 0.767620 0.720720
C -7.844379 -0.529731 -2.508394
C -5.839137 -2.043138 1.050707
C -2.391977 0.186246 -0.440680
C -0.474083 -0.539765 -1.740304
C -0.169891 0.357455 0.521355
C -1.844575 -0.357452 -1.627272
C -1.551273 0.539167 0.626606
H 6.641107 -0.034113 -1.121642
H 6.478080 -1.662756 -0.459004
H 7.681580 0.749284 1.059369
H 7.518536 -0.879678 1.722114
H 5.007085 -0.759447 1.402790
H 5.170187 0.871771 0.738688
H 8.991354 -1.783891 -0.140072
H 9.154291 -0.156294 -0.802202
H 4.120996 0.081125 -1.450110
H 3.958202 -1.542674 -0.788549
H 10.033013 -1.002588 2.040114
H 10.196281 0.627349 1.376894
H 2.582505 0.998937 0.350136
H 2.417476 -0.672377 1.036048
H 11.547023 -1.897659 0.211441
H 11.710222 -0.268778 -0.451257
H 12.347192 -0.636627 1.154751
H -6.546617 0.894714 1.514961
H -6.249797 1.925605 0.097893
H -8.632231 0.489280 -0.751945
H -7.376343 1.395845 -1.638215
H -7.826129 -1.160492 1.062085
H -7.432939 -2.087003 -0.414503
H -8.520675 -0.074740 -3.240348
H -8.256656 -1.508623 -2.236702
H -6.884470 -0.715023 -3.008758
H -4.986392 -2.191094 0.374522
H -5.475287 -1.451137 1.900541
H -6.125593 -3.026757 1.439152
H -4.335569 0.057585 -1.225179
H -0.026681 -0.954291 -2.641246
H 0.465986 0.635122 1.356118
H -2.493174 -0.634628 -2.456885
H -1.975348 0.956000 1.548889


%chk=000218724-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000218724

0 1
O 1.602034 -1.056691 -0.701454
O -4.048624 1.478299 1.963412
N -6.531269 -0.128608 -0.255415
N -3.904024 -0.130161 0.231106
C 6.556001 -0.691245 -0.188823
C 7.742905 -0.013258 0.531586
C 5.179541 -0.188275 0.301504
C 9.121332 -0.516200 0.046735
C 3.998578 -0.863566 -0.432607
C 10.307908 0.167130 0.764117
C 2.645116 -0.360568 0.073292
C 11.681550 -0.340898 0.275104
C -6.108166 0.525864 1.010900
C -6.690980 0.873610 -1.355472
C -7.713178 -1.027096 -0.096625
C 0.261446 -0.758247 -0.400942
C -4.572959 0.691650 1.115133
C -6.597395 0.258367 -2.763474
C -7.374292 -2.338627 0.635157
C -2.507535 -0.308160 0.050130
C -0.706652 -1.451011 -1.170549
C -0.161120 0.159893 0.591557
C -2.074635 -1.227104 -0.946576
C -1.536777 0.384689 0.817627
H 6.641482 -0.516556 -1.281616
H 6.617276 -1.790002 -0.043855
H 7.681891 1.085570 0.383902
H 7.655092 -0.184783 1.625098
H 5.093789 -0.370396 1.393405
H 5.123722 0.911956 0.163045
H 9.186399 -1.614266 0.198021
H 9.210143 -0.348065 -1.047208
H 4.068346 -0.669967 -1.520315
H 4.046043 -1.961323 -0.297732
H 10.217834 -0.000468 1.856990
H 10.241968 1.263981 0.611909
H 2.548431 0.736110 -0.074391
H 2.517625 -0.583242 1.153939
H 11.784682 -1.429361 0.445570
H 11.807895 -0.158873 -0.809009
H 12.512481 0.163784 0.801678
H -6.421042 -0.091969 1.872470
H -6.559859 1.530594 1.158125
H -7.652395 1.431115 -1.244524
H -5.878959 1.615389 -1.238503
H -8.546434 -0.500434 0.428767
H -8.082910 -1.272130 -1.107982
H -6.666419 1.053933 -3.527687
H -7.408924 -0.464032 -2.963144
H -5.632754 -0.263605 -2.894968
H -6.595423 -2.896811 0.086495
H -7.005705 -2.160512 1.661465
H -8.274254 -2.976096 0.711993
H -4.575539 -0.654380 -0.363078
H -0.365282 -2.156998 -1.933618
H 0.565362 0.707871 1.198771
H -2.816030 -1.770435 -1.545795
H -1.870033 1.090318 1.581958


