%chk=000207766.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000207766

0 1
O -4.661772 2.535344 -0.148705
O 1.719233 0.062326 -2.912388
O 4.700766 2.295661 1.490440
O 5.669015 -2.182430 -0.048774
O 6.326691 -0.113686 1.613327
N -2.872765 1.183509 0.269925
N 0.546737 0.621307 -1.035391
N -7.803959 -2.969270 0.929407
C -0.753617 0.744417 -1.747886
C -1.715428 -0.378391 -1.306317
C -1.367966 2.135397 -1.497089
C -2.269877 -0.165176 0.110810
C -1.943393 2.294154 -0.082581
C -4.257584 1.408452 0.091684
C 1.717420 0.284992 -1.712735
C -5.170412 0.250000 0.320233
C 2.945037 0.199091 -0.842530
C -5.968044 -0.211895 -0.737257
C -5.287183 -0.328196 1.592805
C 3.694639 -0.983406 -0.886447
C 3.316788 1.270585 -0.041363
C -6.860047 -1.260862 -0.539737
C -6.177815 -1.373939 1.812034
C 4.484392 1.166651 0.750873
C 4.843668 -1.085461 -0.095787
C -6.967159 -1.852592 0.740307
C 5.257918 -0.011257 0.738412
C 5.869621 2.353301 2.351054
C 5.349474 -3.303572 -0.913633
C 7.598661 -0.433112 0.983319
H -0.547718 0.629073 -2.851500
H -2.551210 -0.433463 -2.031755
H -1.204356 -1.359146 -1.364029
H -0.615686 2.926002 -1.685267
H -2.171247 2.308739 -2.242758
H -1.457545 -0.264888 0.865554
H -3.017259 -0.954144 0.348490
H -1.134267 2.315197 0.678159
H -2.492321 3.264518 -0.001260
H 0.543329 0.788174 -0.034474
H -5.891646 0.260372 -1.718919
H -4.678044 0.049891 2.416527
H 3.381462 -1.790566 -1.544214
H 2.754096 2.202174 -0.018250
H -7.466990 -1.621972 -1.365147
H -6.261101 -1.820813 2.798491
H -8.078432 -3.189231 1.874678
H -8.544587 -3.113121 0.259905
H 6.778390 2.330762 1.743946
H 5.730314 3.320832 2.846503
H 5.855781 1.520502 3.064594
H 6.164074 -4.000815 -0.679169
H 4.379372 -3.728227 -0.639374
H 5.380017 -2.996721 -1.963447
H 8.288357 -0.382691 1.832062
H 7.559787 -1.446592 0.564493
H 7.840892 0.305211 0.216850


%chk=000207766-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000207766

0 1
O -4.772728 2.468778 -0.465017
O 1.574341 -0.823551 -2.571175
O 4.405888 2.051414 1.953914
O 5.824164 -2.220455 -0.006171
O 6.249345 -0.214639 1.888662
N -2.891180 1.110266 -0.237066
N 0.615495 0.827514 -1.255293
N -7.939175 -2.769610 1.527555
C -0.600194 0.921985 -2.095915
C -1.565186 -0.267875 -1.843754
C -1.330064 2.258634 -1.827515
C -2.228327 -0.199675 -0.447445
C -2.009458 2.281452 -0.437033
C -4.276574 1.322984 -0.191034
C 1.650181 -0.034234 -1.570997
C -5.164722 0.190891 0.233576
C 2.861453 -0.009399 -0.674068
C -6.459489 0.099800 -0.343057
C -4.834154 -0.712356 1.279553
C 3.766046 -1.091662 -0.801384
C 3.130352 1.019870 0.251332
C -7.375190 -0.880771 0.069470
C -5.748208 -1.686243 1.718300
C 4.290108 0.976802 1.064237
C 4.909518 -1.154391 0.015237
C -7.033201 -1.797299 1.109082
C 5.192462 -0.122032 0.967255
C 5.726320 2.498389 2.433358
C 5.523833 -3.344684 -0.900263
C 7.619540 -0.362788 1.348794
H -0.259039 0.872764 -3.146417
H -2.352963 -0.249607 -2.621747
H -1.007549 -1.215005 -1.952841
H -0.624851 3.107366 -1.916378
H -2.110337 2.393328 -2.598536
H -1.459326 -0.352605 0.338246
H -2.972256 -1.003937 -0.353417
H -1.250148 2.288099 0.374974
H -2.632637 3.183898 -0.332552
H 0.670684 1.394614 -0.408890
H -6.736837 0.827472 -1.112940
H -3.866000 -0.626917 1.786374
H 3.529134 -1.858023 -1.544115
H 2.503409 1.911512 0.352966
H -8.365083 -0.938902 -0.399638
H -5.477612 -2.359105 2.541282
H -7.703146 -3.416296 2.274477
H -8.861108 -2.837655 1.106560
H 6.438026 2.607156 1.592434
H 5.532167 3.483616 2.885909
H 6.136753 1.797901 3.176465
H 6.335527 -4.067634 -0.731978
H 4.550505 -3.804535 -0.645556
H 5.517184 -3.025224 -1.959553
H 8.273185 -0.379660 2.234301
H 7.712047 -1.300685 0.779138
H 7.875577 0.501947 0.704992


