%chk=000223955.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000223955

0 1
O 3.093964 0.647829 0.000033
O -0.321744 2.242673 -0.088520
O -2.480616 -1.858722 0.278998
O -0.012974 -2.469175 -1.638858
O 4.907102 -0.497288 0.720413
O -2.311820 3.077606 -0.763408
O -2.525832 -1.167899 2.429816
N 0.358817 -0.687249 -0.293564
C 1.279936 -0.098940 -1.300105
C 0.107342 0.135972 0.907253
C 2.745403 -0.422274 -0.959147
C -1.002367 1.180206 0.675008
C -0.261950 -1.903317 -0.586772
C -1.190262 -2.517694 0.483580
C 3.668947 -0.311267 -2.157293
C -1.513080 1.781584 1.970564
C -1.418207 -3.993042 0.231729
C 4.212916 0.489608 0.783075
C -1.104625 3.141913 -0.777062
C -3.078059 -1.234507 1.354061
C 4.366552 1.687104 1.656216
C -0.223767 4.113960 -1.480285
C -4.390093 -0.690422 0.923913
H 1.028765 -0.505263 -2.311204
H 1.130296 1.008555 -1.336214
H -0.168330 -0.511629 1.774335
H 1.059014 0.660604 1.184015
H 2.864856 -1.394104 -0.430456
H -1.825031 0.790352 0.033610
H -0.827602 -2.316837 1.521654
H 3.407595 -1.040092 -2.935651
H 3.647355 0.687772 -2.607236
H 4.710924 -0.515039 -1.864331
H -1.921222 1.014047 2.647299
H -0.723527 2.313234 2.515395
H -2.315080 2.508791 1.776891
H -1.787657 -4.167008 -0.793387
H -2.157562 -4.410176 0.925400
H -0.486935 -4.567021 0.330064
H 3.552309 2.415763 1.519779
H 5.316872 2.202159 1.443632
H 4.389963 1.395349 2.717798
H 0.845779 3.925802 -1.294691
H -0.445257 5.144162 -1.158687
H -0.390572 4.074478 -2.568704
H -4.683162 -1.038163 -0.082233
H -4.367119 0.413400 0.889250
H -5.188058 -0.976896 1.627528


%chk=000223955-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000223955

0 1
O 3.290850 0.302573 0.256741
O -0.653823 2.425770 -0.318379
O -2.337273 -1.660524 0.266324
O 0.373308 -2.313606 -1.504995
O 4.923315 -1.354625 0.469278
O -2.896528 2.676522 -0.922571
O -2.606121 -1.182796 2.539425
N 0.453371 -0.370706 -0.243114
C 1.394249 0.189176 -1.244184
C 0.122472 0.467515 0.928170
C 2.839654 -0.297674 -1.053099
C -1.066667 1.426356 0.728706
C -0.009486 -1.661008 -0.482327
C -0.994153 -2.296336 0.526553
C 3.770731 0.168316 -2.178440
C -1.438078 2.168575 2.018645
C -1.133987 -3.801909 0.314914
C 4.358168 -0.328435 0.908877
C -1.690803 2.975734 -1.085620
C -3.057434 -1.176874 1.369145
C 4.718756 0.416788 2.177095
C -1.139387 3.931661 -2.120014
C -4.392219 -0.627742 0.921062
H 1.063700 -0.130505 -2.247922
H 1.350818 1.288405 -1.181470
H -0.120568 -0.167607 1.797345
H 1.022892 1.050460 1.189473
H 2.874368 -1.395875 -0.949347
H -1.935497 0.887981 0.317536
H -0.722681 -2.074031 1.575028
H 3.439944 -0.265250 -3.139503
H 3.764996 1.269568 -2.268361
H 4.802373 -0.171303 -1.990720
H -1.764204 1.445352 2.787541
H -0.574977 2.737169 2.408846
H -2.268592 2.869604 1.832959
H -1.436818 -4.017650 -0.721249
H -1.877510 -4.214510 1.018292
H -0.163787 -4.298496 0.491239
H 3.812911 0.698200 2.738861
H 5.253738 1.349070 1.920442
H 5.373629 -0.209708 2.800041
H -0.330546 4.546037 -1.693066
H -1.947795 4.572271 -2.501631
H -0.715623 3.357585 -2.964354
H -4.873824 -1.315388 0.207340
H -4.244353 0.336798 0.398628
H -5.039311 -0.466031 1.795360


