%chk=000188873.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000188873

0 1
O 1.804502 0.690009 2.089637
N 1.748283 -0.085946 -0.953632
N 3.580574 0.322608 -2.263791
N 4.985987 1.368844 -0.474984
N 3.934369 1.477365 1.719296
N 6.198087 2.136482 1.446438
C -1.916805 -0.091672 -0.090619
C -0.598218 0.388163 -0.435294
C -2.148125 -1.460797 0.121888
C 0.432320 -0.531914 -0.565819
C -3.003643 0.852892 0.032163
C 0.237833 -1.939378 -0.331935
C -1.060912 -2.401248 0.003997
C -2.781515 2.248802 -0.177807
C -4.304876 0.397930 0.364847
C -0.412576 1.821895 -0.636736
C -3.483490 -1.896576 0.459987
C -1.435170 2.694462 -0.513993
C -4.512243 -1.014751 0.576539
C 2.704632 0.514538 -0.125119
C 1.311694 -2.880681 -0.421260
C -1.254304 -3.801309 0.224518
C -3.842055 3.144711 -0.054304
C -5.362102 1.331382 0.482569
C 2.310752 -0.184557 -2.230261
C 3.824392 0.754640 -0.965007
C -5.129394 2.681989 0.275428
C 1.093092 -4.218141 -0.199656
C -0.210131 -4.687006 0.123808
C 2.706660 0.861562 1.308599
C 4.972998 1.661798 0.921040
H 0.593514 2.173016 -0.875687
H -3.645501 -2.964614 0.624952
H -1.284401 3.765760 -0.657237
H -5.516468 -1.352230 0.834604
H 2.316330 -2.524271 -0.652689
H -2.255095 -4.155718 0.481150
H -3.681241 4.210958 -0.209652
H -6.360070 0.978539 0.739502
H 1.796482 -0.610140 -3.083373
H -5.945027 3.398950 0.368626
H 1.911683 -4.934843 -0.262553
H -0.361055 -5.752142 0.294444
H 5.818752 1.414498 -1.057278
H 6.694330 2.829753 0.900251
H 6.154653 2.387087 2.436600


%chk=000188873-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000188873

0 1
O 1.927209 0.329490 2.188036
N 1.726954 0.025491 -0.938753
N 3.478334 0.618976 -2.291183
N 4.990557 1.338027 -0.453344
N 4.108012 1.150347 1.794481
N 6.267173 1.968006 1.442750
C -1.968038 -0.062764 -0.105688
C -0.652728 0.439395 -0.468356
C -2.164616 -1.458538 0.161545
C 0.420609 -0.466931 -0.557362
C -3.070981 0.859239 -0.012908
C 0.265611 -1.867095 -0.294602
C -1.041810 -2.376147 0.066846
C -2.876364 2.264466 -0.275082
C -4.383474 0.385538 0.346544
C -0.486096 1.858176 -0.721033
C -3.490400 -1.901526 0.518766
C -1.550666 2.729029 -0.629485
C -4.555726 -1.019500 0.607815
C 2.752347 0.485806 -0.085745
C 1.377500 -2.770396 -0.381310
C -1.167687 -3.780720 0.319396
C -3.976881 3.152115 -0.176503
C -5.465336 1.309465 0.435433
C 2.213935 0.126439 -2.239017
C 3.794985 0.834643 -0.958222
C -5.262129 2.676925 0.176284
C 1.214655 -4.131391 -0.127236
C -0.071643 -4.641782 0.225324
C 2.848533 0.629015 1.373280
C 5.079072 1.469563 0.941545
H 0.509329 2.231661 -0.978053
H -3.667889 -2.959186 0.729561
H -1.407715 3.799401 -0.818100
H -5.551887 -1.384703 0.883470
H 2.364319 -2.376039 -0.640944
H -2.139396 -4.198976 0.595566
H -3.822010 4.219045 -0.374799
H -6.460016 0.940527 0.711082
H 1.623556 -0.167006 -3.103019
H -6.100198 3.378186 0.249188
H 2.071803 -4.810042 -0.191226
H -0.196682 -5.711134 0.426575
H 5.744587 1.587961 -1.095127
H 7.056273 2.236642 0.861759
H 6.322518 2.060999 2.454047


