%chk=000282780.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000282780

0 1
O -0.556901 -4.065447 0.353658
O -2.110863 -2.645476 1.058953
N -2.263204 1.990066 1.709288
N 2.417266 1.481757 -1.794430
C 0.087213 -0.553115 0.333983
C -0.309179 -1.821810 -0.460760
C -1.063766 0.359489 0.631787
C 1.186382 0.196384 -0.355486
C 0.896528 -2.648086 -0.943781
C -1.119388 -2.787355 0.400680
C 0.632819 -4.088539 -0.485421
C -2.322273 0.525512 -0.059398
C 2.541350 0.274787 0.148807
C -1.055802 1.256288 1.699531
C 1.134479 0.938394 -1.529758
C -3.057532 1.548403 0.635296
C 3.292692 1.086746 -0.766100
C -0.010853 1.497592 2.716561
C 0.013146 1.203796 -2.452306
C -2.920736 -0.068990 -1.185837
C 3.192414 -0.257977 1.275175
C -4.335790 1.971880 0.227323
C 4.657368 1.368162 -0.572084
C -4.178503 0.347910 -1.589589
C 4.537209 0.020357 1.464840
C -4.880728 1.360129 -0.889217
C 5.261644 0.825375 0.550508
H 0.490280 -0.910528 1.326694
H -0.944662 -1.523995 -1.336311
H 1.848028 -2.265536 -0.523419
H 1.013539 -2.580906 -2.038282
H 0.398115 -4.782469 -1.308070
H 1.426715 -4.505452 0.154359
H -2.527741 2.674610 2.389271
H 2.654282 2.071157 -2.567963
H -0.021910 0.712179 3.489469
H 0.993591 1.484393 2.254328
H -0.111758 2.463379 3.227749
H -0.872288 1.562878 -1.890918
H 0.234530 1.961658 -3.213871
H -0.299717 0.289009 -2.978121
H -2.392559 -0.859991 -1.721344
H 2.642200 -0.877913 1.979488
H -4.869504 2.741835 0.773531
H 5.207459 1.984695 -1.274437
H -4.651848 -0.111062 -2.455003
H 5.058998 -0.382767 2.330578
H -5.869221 1.651155 -1.240427
H 6.316481 1.015638 0.743475


%chk=000282780-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000282780

0 1
O -0.309657 -4.037775 0.759506
O -1.284158 -2.399267 2.081532
N -2.569014 1.860544 1.738957
N 2.543923 1.460298 -1.909407
C 0.131815 -0.345812 0.388836
C -0.209947 -1.791828 -0.118535
C -1.124392 0.490026 0.616496
C 1.254445 0.324145 -0.403355
C 0.933607 -2.624234 -0.747602
C -0.691694 -2.698637 1.032894
C 0.444487 -4.072634 -0.533944
C -2.369059 0.577696 -0.142089
C 2.647966 0.269593 0.023240
C -1.290757 1.284333 1.759104
C 1.226217 1.066910 -1.594013
C -3.255803 1.448119 0.595372
C 3.434548 0.993036 -0.940585
C -0.362463 1.504900 2.920639
C 0.108795 1.470047 -2.515535
C -2.853424 0.041155 -1.371550
C 3.308219 -0.310360 1.140701
C -4.557603 1.773506 0.161644
C 4.832222 1.147653 -0.821872
C -4.155098 0.354688 -1.808656
C 4.703510 -0.160100 1.268256
C -5.004407 1.211779 -1.051367
C 5.459413 0.559725 0.296728
H 0.562736 -0.502772 1.397630
H -1.045546 -1.741927 -0.842271
H 1.881162 -2.449482 -0.209156
H 1.101948 -2.388628 -1.810820
H -0.254325 -4.405873 -1.323382
H 1.249500 -4.812807 -0.409294
H -2.939469 2.473253 2.462264
H 2.790306 2.032850 -2.714295
H -0.380236 0.640354 3.612266
H 0.678309 1.640361 2.579724
H -0.641434 2.403778 3.499869
H -0.835935 1.585111 -1.965174
H 0.329997 2.434492 -3.010117
H -0.060504 0.722126 -3.315305
H -2.225585 -0.602419 -1.997884
H 2.746099 -0.866606 1.900886
H -5.204908 2.437003 0.746616
H 5.415105 1.703484 -1.565237
H -4.522065 -0.065041 -2.752028
H 5.220204 -0.602009 2.127488
H -6.012483 1.437054 -1.416231
H 6.543431 0.658389 0.422054


