%chk=000183302.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000183302

0 1
O -2.723391 -3.594719 -1.703257
N -3.346631 1.313542 0.758593
N 1.075233 0.229685 -0.578077
N 5.228302 -0.955934 -0.389681
N 0.712878 2.292402 0.553490
C -1.177401 0.804293 0.148466
C -2.009248 -0.305938 -0.244355
C -2.032676 1.787942 0.758394
C 3.187064 -0.066674 0.730524
C 2.545551 0.420397 -0.579402
C -3.359107 0.024980 0.145913
C 0.210035 1.102182 0.055646
C 4.720522 -0.000029 0.651447
C -1.757237 -1.525388 -0.875531
C -1.524642 3.000514 1.249764
C -4.434250 -0.836669 -0.080103
C -2.854497 -2.368508 -1.090363
C -0.145882 3.186642 1.111830
C -4.175456 -2.052254 -0.706910
C 5.207021 -2.361468 0.114827
C 6.613091 -0.582296 -0.808200
H 2.857606 -1.096844 0.962559
H 2.835675 0.566186 1.571686
H 2.963553 -0.140029 -1.448199
H 2.778403 1.499424 -0.741299
H 5.151383 -0.185755 1.658643
H 5.026587 1.031563 0.367502
H -4.153496 1.788190 1.113516
H 0.737117 -0.706833 -0.787641
H -0.758574 -1.799224 -1.191297
H -2.155757 3.747205 1.707460
H -5.444553 -0.570848 0.221502
H 0.330178 4.108665 1.473252
H -4.969967 -2.766594 -0.911600
H 4.177774 -2.624750 0.406871
H 5.868084 -2.556394 0.971804
H 5.495411 -3.038136 -0.705295
H 6.592248 0.423531 -1.257869
H 6.949804 -1.277092 -1.594396
H 7.360458 -0.588017 -0.001861
H -1.792513 -3.776748 -1.975353


%chk=000183302-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000183302

0 1
O -3.028456 -3.637521 -1.787329
N -3.344805 1.346124 0.736444
N 1.063990 0.022652 -0.464631
N 5.384261 -0.858599 -0.357759
N 0.770920 2.112779 0.568439
C -1.209189 0.734019 0.155958
C -2.111537 -0.334381 -0.254830
C -2.010661 1.757838 0.760234
C 3.257355 -0.087496 0.781352
C 2.521550 0.210969 -0.546011
C -3.437363 0.079989 0.126570
C 0.207631 0.957098 0.090512
C 4.783972 0.073886 0.633485
C -1.952523 -1.587082 -0.904844
C -1.441013 2.953829 1.258219
C -4.573785 -0.716060 -0.115940
C -3.096181 -2.380635 -1.146303
C -0.043550 3.063722 1.120855
C -4.394958 -1.957625 -0.757256
C 5.393042 -2.261230 0.104905
C 6.730328 -0.423177 -0.783968
H 2.999781 -1.104832 1.135192
H 2.895951 0.623165 1.547355
H 2.920574 -0.442566 -1.342104
H 2.716947 1.259875 -0.831446
H 5.268360 -0.034996 1.639121
H 4.995247 1.105186 0.288383
H -4.129911 1.882712 1.097088
H 0.672529 -0.866514 -0.764909
H -0.970686 -1.950876 -1.234325
H -2.030322 3.749912 1.720272
H -5.576018 -0.388869 0.180356
H 0.471289 3.963875 1.477153
H -5.242407 -2.615013 -0.970433
H 4.366932 -2.600816 0.327033
H 6.012480 -2.413458 1.026662
H 5.799402 -2.910824 -0.691192
H 6.676944 0.597736 -1.202109
H 7.107100 -1.097431 -1.574527
H 7.481014 -0.417579 0.048045
H -2.095536 -3.857585 -2.030715


