%chk=000258871.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000258871

0 1
O -4.356283 1.804459 0.357890
O -4.584818 -0.822237 0.144940
N -0.949216 0.494170 -0.059870
N 1.937493 0.296286 -0.201915
C -0.078612 1.700232 0.131904
C -0.284993 -0.456921 -1.009282
C 1.274063 1.262811 0.728179
C 1.068726 -0.902316 -0.419723
C -2.311440 0.882355 -0.538578
C -3.222718 1.002497 0.704919
C 3.334024 0.075482 -0.035699
C -3.703101 -0.372983 1.203293
C 4.152390 1.064592 0.560160
C 3.948739 -1.080065 -0.574022
C 5.534847 0.897765 0.603203
C 5.333187 -1.226964 -0.520446
C 6.136422 -0.245951 0.069014
C -5.530928 -1.842096 0.561185
C -6.353490 -2.108389 -0.686844
H -0.585367 2.390397 0.840177
H 0.092759 2.264199 -0.811707
H -0.128406 -0.020959 -2.020299
H -0.940373 -1.347160 -1.127175
H 1.922699 2.159382 0.855542
H 1.119595 0.816488 1.735996
H 0.904258 -1.462450 0.527966
H 1.566346 -1.595445 -1.135721
H -2.339885 1.839805 -1.101380
H -2.732968 0.114008 -1.223913
H -2.736119 1.580134 1.522470
H -4.252052 -0.289841 2.154653
H -2.872371 -1.093639 1.297261
H 3.709039 1.968046 0.973516
H 3.346436 -1.852701 -1.046984
H -5.001276 1.261620 -0.162656
H 6.153162 1.669732 1.061132
H 5.793407 -2.119991 -0.943031
H 7.213816 -0.369617 0.109587
H -4.966167 -2.730582 0.892896
H -6.139977 -1.449047 1.393969
H -7.080325 -2.911374 -0.524218
H -6.901213 -1.210907 -1.002825
H -5.709109 -2.396025 -1.529065


%chk=000258871-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000258871

0 1
O -4.566840 1.971172 0.024831
O -4.549581 -0.745608 0.249325
N -1.038515 0.634025 -0.307049
N 1.836285 0.276734 -0.208000
C -0.142669 1.752448 0.067700
C -0.351692 -0.238624 -1.288462
C 1.165150 1.233535 0.693499
C 0.937688 -0.805951 -0.673300
C -2.385101 1.082690 -0.738610
C -3.331757 1.308138 0.467516
C 3.222807 0.022335 -0.048029
C -3.675388 -0.006919 1.181760
C 3.977197 0.614455 1.011491
C 3.927468 -0.808858 -0.973815
C 5.367049 0.395344 1.123612
C 5.312402 -1.027960 -0.844643
C 6.051739 -0.427330 0.202336
C -5.118550 -1.967210 0.836502
C -5.993039 -2.632505 -0.225534
H -0.652480 2.402518 0.801729
H 0.109117 2.379623 -0.825084
H -0.095507 0.315212 -2.226900
H -1.023306 -1.075641 -1.553301
H 1.829899 2.098542 0.860857
H 0.939218 0.770503 1.682847
H 0.660573 -1.466259 0.181011
H 1.451962 -1.424736 -1.424335
H -2.352927 2.026241 -1.331095
H -2.831997 0.301115 -1.380936
H -2.866557 2.004471 1.188187
H -4.223594 0.195021 2.126204
H -2.749626 -0.579951 1.391120
H 3.482380 1.230267 1.767805
H 3.400193 -1.263081 -1.818680
H -5.153327 1.242593 -0.316605
H 5.913898 0.864304 1.950333
H 5.820860 -1.664865 -1.578198
H 7.129166 -0.598109 0.295932
H -4.294492 -2.642388 1.155252
H -5.713571 -1.703299 1.738820
H -6.443359 -3.559594 0.173281
H -6.807345 -1.956258 -0.538938
H -5.393628 -2.889337 -1.115940


