%chk=000229881.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000229881

0 1
O 5.347979 0.810717 1.151475
O 5.523224 -0.263547 -0.835461
O -6.670365 0.768724 0.551941
O -5.607280 2.570266 0.006714
N 0.346044 -0.995276 -0.241774
N -0.839854 -1.599928 0.093220
N -5.648663 1.374735 0.259242
C 2.684547 -0.863514 -0.674782
C 3.522432 -0.520393 0.560391
C 1.465031 -1.666408 -0.286661
C 4.881011 -0.012937 0.156732
C 1.659064 -3.123777 -0.006274
C -2.008333 -0.819494 0.114491
C -3.220143 -1.481231 0.448806
C -2.007991 0.568534 -0.172901
C -4.397197 0.619035 0.209057
C 6.663590 1.431120 0.978611
C -4.403077 -0.759416 0.494021
C -3.194884 1.278171 -0.124850
C 6.562239 2.590484 0.010919
H 2.392116 0.072854 -1.202996
H 3.293203 -1.433918 -1.412837
H 3.656178 -1.407534 1.217394
H 2.997990 0.231518 1.192998
H 1.335280 -3.396495 1.008046
H 1.108005 -3.752025 -0.721831
H 2.714475 -3.426429 -0.086271
H -0.899889 -2.600351 0.296353
H -3.230983 -2.545564 0.669462
H -1.071192 1.067953 -0.430712
H 6.879998 1.744469 2.016495
H 7.374498 0.655817 0.642450
H -5.349766 -1.250403 0.750195
H -3.217076 2.352705 -0.343637
H 5.753072 3.278941 0.287274
H 6.355451 2.239519 -1.011632
H 7.494067 3.167679 -0.023070


%chk=000229881-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000229881

0 1
O 5.642940 0.697443 1.113084
O 5.491949 -0.178377 -1.046485
O -6.967453 0.450471 0.464268
O -5.979001 2.388228 -0.236431
N 0.277683 -0.795513 -0.222497
N -0.884488 -1.465134 0.135289
N -5.926585 1.141473 0.115212
C 2.655006 -0.700708 -0.618710
C 3.640439 -0.502095 0.562526
C 1.413989 -1.467240 -0.215812
C 4.995106 0.007611 0.089011
C 1.538651 -2.938095 0.153883
C -2.113058 -0.801182 0.123103
C -3.286962 -1.519741 0.500206
C -2.213501 0.569742 -0.256901
C -4.619460 0.475459 0.118712
C 7.010544 1.230920 0.805234
C -4.536237 -0.886041 0.498484
C -3.463627 1.202672 -0.257921
C 6.916672 2.619453 0.168272
H 2.350286 0.281802 -1.017510
H 3.189384 -1.235121 -1.428338
H 3.820936 -1.464554 1.083550
H 3.231693 0.190323 1.317478
H 1.227036 -3.134935 1.200258
H 0.915763 -3.576242 -0.506010
H 2.579603 -3.281369 0.048384
H -0.865808 -2.453928 0.413242
H -3.213101 -2.574213 0.792984
H -1.305530 1.103595 -0.543595
H 7.503105 1.257725 1.790229
H 7.523521 0.515427 0.138786
H -5.448087 -1.417207 0.783185
H -3.568440 2.252114 -0.545786
H 6.350185 3.312504 0.813732
H 6.427116 2.566789 -0.818580
H 7.932532 3.032546 0.026061


