%chk=000108368.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000108368

0 1
O -0.274416 -2.355894 -0.484353
O 0.789198 -0.730101 -1.984770
O -0.252736 -1.130665 1.411809
N -4.489582 -1.304590 0.115497
C -5.346020 -0.647389 1.160702
C -4.137364 -0.198166 -0.838637
C -4.961782 0.848165 1.230128
C -4.188176 1.140448 -0.068413
C -3.272013 -1.937552 0.720457
C -2.633525 -2.881831 -0.312486
C -1.230640 -3.314747 0.084900
C 0.998617 -0.360389 -0.618073
C 0.656116 1.123314 -0.551695
C 0.083598 -1.263983 0.260114
C 2.427014 -0.637850 -0.165288
C 1.236110 2.029773 -1.465350
C -0.225378 1.603835 0.427192
C -0.556648 2.961926 0.502488
C 0.894745 3.392523 -1.384303
C 2.808503 -0.303765 1.142594
C 3.356061 -1.212405 -1.040639
C 2.215483 1.604887 -2.508962
C 0.008093 3.858621 -0.418135
C -1.497864 3.460987 1.551110
C 4.114975 -0.549602 1.570478
C 4.662603 -1.457380 -0.607384
C 5.042995 -1.127395 0.696937
H -5.263996 -1.146102 2.141959
H -6.398132 -0.766866 0.824211
H -4.901743 -0.218971 -1.643649
H -3.155646 -0.360921 -1.320587
H -5.856474 1.483765 1.320097
H -4.338928 1.055720 2.115377
H -3.170270 1.509116 0.148424
H -4.680413 1.922880 -0.666750
H -2.526944 -1.192054 1.079557
H -3.582986 -2.522981 1.612337
H -3.285681 -3.766364 -0.458800
H -2.595538 -2.390285 -1.310111
H -1.071874 -3.375812 1.175883
H -0.909904 -4.249745 -0.408164
H -0.664654 0.924398 1.163746
H 1.334481 4.095510 -2.090957
H 2.081161 0.144206 1.824065
H 3.062928 -1.456945 -2.062330
H 0.760269 -1.714392 -2.094636
H 3.162247 1.281427 -2.050993
H 2.451393 2.401088 -3.224075
H 1.830037 0.749572 -3.091445
H -0.243613 4.916525 -0.374494
H -1.879822 2.657993 2.195508
H -1.006524 4.192163 2.208993
H -2.369168 3.958479 1.102697
H 4.410158 -0.290308 2.586217
H 5.384187 -1.904830 -1.288831
H 6.060784 -1.318841 1.032932


%chk=000108368-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000108368

0 1
O -0.476178 -2.072958 -0.469394
O 1.163015 -0.882830 -2.032864
O 0.652879 -1.586585 1.514593
N -4.767275 -1.230902 0.283702
C -5.526155 -0.425799 1.284853
C -4.908379 -0.430921 -0.970191
C -5.299976 1.090302 0.934869
C -4.793227 1.072856 -0.544451
C -3.352913 -1.510940 0.652207
C -2.824636 -2.750070 -0.101175
C -1.362262 -3.079542 0.205783
C 1.338955 -0.472333 -0.628351
C 0.871126 0.996734 -0.442729
C 0.504778 -1.424322 0.287980
C 2.824470 -0.676939 -0.265561
C 1.452927 2.031823 -1.242506
C -0.141885 1.327192 0.492381
C -0.618130 2.649279 0.665009
C 0.968332 3.351904 -1.064386
C 3.362013 -0.067562 0.893562
C 3.643370 -1.515109 -1.057315
C 2.561726 1.789263 -2.251989
C -0.043792 3.665555 -0.134146
C -1.712960 2.965979 1.670022
C 4.709833 -0.287949 1.251468
C 4.992661 -1.733525 -0.698588
C 5.530997 -1.121730 0.456675
H -5.215459 -0.687963 2.310684
H -6.600837 -0.672474 1.185683
H -5.908794 -0.627239 -1.401451
H -4.154662 -0.730021 -1.718197
H -6.235588 1.667075 1.043654
H -4.550397 1.547696 1.604479
H -3.742202 1.409573 -0.602756
H -5.388535 1.728906 -1.203335
H -2.675090 -0.643376 0.461363
H -3.317652 -1.716096 1.739042
H -3.447047 -3.621558 0.179356
H -2.947202 -2.615925 -1.192729
H -1.135913 -3.060378 1.287107
H -1.066385 -4.054255 -0.218437
H -0.567607 0.544184 1.130287
H 1.405685 4.152949 -1.672810
H 2.727847 0.575078 1.513107
H 3.217827 -1.971484 -1.955024
H 0.234298 -1.223737 -2.121190
H 3.520695 1.570184 -1.746422
H 2.709354 2.681473 -2.884951
H 2.334356 0.923579 -2.894244
H -0.385467 4.702722 -0.027657
H -1.928622 2.099482 2.319567
H -1.430256 3.813268 2.321631
H -2.655913 3.248178 1.162369
H 5.117877 0.188425 2.149999
H 5.622232 -2.379451 -1.321340
H 6.577443 -1.291489 0.734857


