%chk=000218716.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000218716

0 1
O -3.147564 -0.711233 0.147135
O 3.047361 -2.305331 -0.246340
N 5.004023 0.639298 -0.665491
N 2.327100 -0.191426 -0.833555
C -6.545864 0.809670 0.334964
C -5.416875 -0.224225 0.385454
C 4.734210 -0.787151 -1.013775
C 5.567080 0.777384 0.720386
C 5.902665 1.278516 -1.687132
C -7.899220 0.171188 0.679058
C -4.072750 0.414801 0.041832
C 3.298995 -1.175943 -0.633665
C 4.557805 0.328240 1.773922
C 5.799127 2.800738 -1.591805
C -9.032283 1.193310 0.632018
C 0.925990 -0.325325 -0.562835
C -1.814244 -0.478872 -0.107778
C 0.125581 0.823430 -0.687869
C 0.342705 -1.561434 -0.202693
C -1.252644 0.751927 -0.461688
C -1.022191 -1.640660 0.024677
H -6.335231 1.638633 1.038453
H -6.596081 1.270331 -0.670873
H -5.357036 -0.694210 1.388432
H -5.617531 -1.061776 -0.313555
H 5.420604 -1.509780 -0.514093
H 4.848068 -0.967580 -2.106979
H 6.522091 0.221870 0.848116
H 5.800380 1.856386 0.874051
H 6.962701 0.959508 -1.585448
H 5.568114 0.955439 -2.698908
H -8.113921 -0.658236 -0.023475
H -7.853021 -0.290389 1.685242
H -4.035693 0.806851 -0.987961
H -3.769341 1.189436 0.765325
H 3.576444 0.795878 1.617751
H 4.399733 -0.758174 1.767535
H 4.895999 0.600737 2.779817
H 4.751324 3.129013 -1.610298
H 6.238368 3.187254 -0.664601
H 6.315049 3.280944 -2.430475
H -8.871347 2.009641 1.345342
H -9.132208 1.641837 -0.362955
H -9.993807 0.728562 0.878906
H 2.653578 0.755746 -1.067234
H 0.566824 1.779952 -0.962363
H 0.971496 -2.455547 -0.100309
H -1.857075 1.646616 -0.563622
H -1.496588 -2.580248 0.303557


%chk=000218716-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000218716

0 1
O -3.174006 -0.926485 -0.286048
O 3.224725 -2.664143 -0.967762
N 4.912735 0.571532 -0.377110
N 2.473874 -0.517396 -0.302534
C -6.460834 0.910976 0.328246
C -5.470149 -0.226175 -0.011405
C 4.866404 -0.914362 -0.427343
C 5.964382 1.101007 0.541505
C 4.981779 1.155794 -1.753739
C -7.937104 0.458103 0.253912
C -4.012243 0.231050 0.071971
C 3.431174 -1.463289 -0.610426
C 5.604522 0.926817 2.028333
C 4.511197 2.619848 -1.821692
C -8.930600 1.591862 0.586502
C 1.059182 -0.634342 -0.305719
C -1.778946 -0.753783 -0.272263
C 0.291478 0.505066 0.042476
C 0.388724 -1.845010 -0.641729
C -1.118535 0.454700 0.062448
C -1.015427 -1.894689 -0.622763
H -6.251354 1.298748 1.347423
H -6.307034 1.761966 -0.368144
H -5.617586 -1.076811 0.681428
H -5.666206 -0.606411 -1.032400
H 5.248734 -1.331233 0.522334
H 5.490391 -1.345586 -1.239745
H 6.953198 0.626861 0.329409
H 6.079971 2.178689 0.329937
H 6.014732 1.066439 -2.169102
H 4.326395 0.542574 -2.399995
H -8.146252 0.067083 -0.762434
H -8.092484 -0.389713 0.951413
H -3.817491 1.066450 -0.634111
H -3.760830 0.571268 1.099266
H 4.657310 1.445079 2.259518
H 5.487932 -0.135769 2.308196
H 6.401415 1.351812 2.665932
H 3.472777 2.711428 -1.455850
H 5.146949 3.295471 -1.221995
H 4.541468 2.977136 -2.867200
H -8.763346 1.979704 1.609218
H -8.815913 2.438865 -0.116127
H -9.977491 1.242306 0.525475
H 2.918834 0.388107 -0.055551
H 0.798234 1.442667 0.303967
H 0.980364 -2.722567 -0.911073
H -1.679797 1.352173 0.337425
H -1.544351 -2.818220 -0.877878


