%chk=000267011.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000267011

0 1
O -2.406221 1.424139 0.890139
O -2.047149 -1.885378 -0.896557
O 4.019377 3.146435 -0.181121
O 4.585865 -2.192994 0.243253
N 2.380384 1.749672 0.690501
N 2.696150 -1.183635 -0.655029
N 1.359393 2.536571 0.213866
N 1.861809 -2.168606 -0.183171
C 5.653718 0.617775 0.030572
C 4.737165 1.227756 1.097363
C 4.890916 -0.170464 -1.040439
C 3.726567 2.167257 0.460967
C 4.097767 -1.302050 -0.408495
C -0.973951 3.040342 -0.002318
C -0.312017 -3.159398 0.011949
C -2.314976 2.637445 0.253115
C -1.706004 -3.050352 -0.254265
C 0.126913 2.198355 0.485992
C 0.588967 -2.104055 -0.471488
C -0.770877 4.241713 -0.691814
C 0.135861 -4.289088 0.706998
C -3.406054 3.413999 -0.148882
C -2.610728 -4.039726 0.142833
C -1.857471 5.022001 -1.106632
C -0.763796 -5.281156 1.116930
C -3.162211 4.611601 -0.831903
C -2.123761 -5.157118 0.831702
C -3.709289 0.983548 1.395991
C -3.411597 -1.729320 -1.408316
C -3.384254 -0.366205 2.002722
C -3.376222 -0.340648 -2.013235
H 6.391700 -0.048387 0.527607
H 6.238071 1.424143 -0.463055
H 5.346161 1.819499 1.817000
H 4.275038 0.423953 1.705504
H 4.272686 0.518762 -1.650561
H 5.614004 -0.620111 -1.757252
H 2.188289 0.913233 1.258651
H 2.336131 -0.410995 -1.231785
H -0.194570 1.319467 1.074393
H 0.093901 -1.317736 -1.070345
H 0.252560 4.571614 -0.901669
H 1.204326 -4.394078 0.925277
H -4.425297 3.108454 0.057308
H -3.669975 -3.957635 -0.071616
H -1.677359 5.952825 -1.640196
H -0.394555 -6.151612 1.655008
H -4.004839 5.225703 -1.150388
H -2.819492 -5.935246 1.146445
H -4.410835 0.914817 0.547480
H -4.060279 1.723208 2.134805
H -4.115880 -1.811319 -0.563261
H -3.594810 -2.525632 -2.148904
H -2.778556 -0.972515 1.305034
H -2.786910 -0.267896 2.918939
H -4.289909 -0.930310 2.247633
H -2.915518 0.379069 -1.312459
H -2.767393 -0.309415 -2.926611
H -4.379466 0.019726 -2.262307


%chk=000267011-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000267011

0 1
O -2.215279 0.884770 1.730351
O -1.842588 -1.260011 -1.709322
O 3.922550 2.773990 -0.756432
O 4.592716 -2.089067 0.617746
N 2.444170 1.725864 0.740586
N 2.911558 -1.214389 -0.774113
N 1.294734 2.246827 0.165101
N 1.886559 -1.956023 -0.207362
C 5.857620 0.627347 0.042426
C 4.851318 1.319444 0.998871
C 5.189731 -0.324931 -0.988380
C 3.722389 2.024274 0.236411
C 4.234594 -1.309358 -0.304680
C -1.126343 2.320123 0.148009
C -0.480475 -2.460579 -0.142505
C -2.351280 1.821971 0.698360
C -1.784602 -2.204209 -0.676517
C 0.149968 1.833091 0.676178
C 0.673957 -1.736360 -0.680864
C -1.191693 3.280816 -0.896741
C -0.349706 -3.417170 0.900063
C -3.598193 2.276753 0.203770
C -2.916278 -2.887696 -0.168043
C -2.430127 3.737585 -1.388527
C -1.472654 -4.100726 1.405881
C -3.631902 3.233501 -0.835527
C -2.755140 -3.833461 0.869248
C -3.436311 0.306617 2.329560
C -3.159913 -0.926095 -2.290602
C -2.978099 -0.682058 3.397281
C -2.912520 0.120250 -3.372888
H 6.575158 0.054073 0.656169
H 6.420112 1.396596 -0.515824
H 5.391143 2.084380 1.589534
H 4.451177 0.577495 1.716056
H 4.673135 0.275478 -1.760466
H 5.978651 -0.910936 -1.495039
H 2.371865 1.053729 1.520660
H 2.703278 -0.524889 -1.513814
H 0.093513 1.108106 1.508490
H 0.466850 -1.007988 -1.485799
H -0.246064 3.655718 -1.301568
H 0.654821 -3.606263 1.292305
H -4.536363 1.906874 0.627012
H -3.912747 -2.702316 -0.578872
H -2.462400 4.483258 -2.189418
H -1.352616 -4.839188 2.205159
H -4.599745 3.588275 -1.207406
H -3.633525 -4.365030 1.252402
H -4.024230 -0.202693 1.538639
H -4.049805 1.121893 2.765142
H -3.819178 -0.527185 -1.492637
H -3.616922 -1.845934 -2.709740
H -2.375416 -1.488447 2.946720
H -2.372502 -0.172909 4.166552
H -3.856751 -1.136955 3.890180
H -2.461199 1.028041 -2.938914
H -2.237953 -0.275253 -4.151507
H -3.869550 0.400984 -3.849451


