%chk=000296143.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000296143

0 1
O -1.612692 -0.281443 -1.296248
O -4.238912 0.528865 2.425172
O -2.356829 -4.477557 0.075504
O 2.081960 1.901275 -1.451341
O 4.667638 1.259360 -0.425599
N -3.082447 -0.181072 0.517567
N -0.874880 -2.843188 0.665866
C -3.793923 -1.462080 0.304545
C -3.271683 -2.572835 1.222890
C -1.602044 1.606453 0.290818
C -2.420977 1.861390 1.429333
C -2.018124 0.303546 -0.324552
C -3.384372 0.723798 1.602605
C 0.672213 -2.710371 -1.303230
C 0.251175 -3.493971 -0.048248
C -2.160525 -3.382965 0.578474
C 1.738463 -1.684802 -1.041343
C -0.611241 2.485825 -0.084816
C -2.260468 3.000330 2.185800
C 1.494715 -0.335886 -1.340746
C -0.442764 3.658262 0.693250
C -1.246968 3.910928 1.796542
C 2.988994 -2.064339 -0.536921
C 2.492259 0.622003 -1.132534
C 3.754299 0.231129 -0.611569
C 3.991724 -1.112940 -0.319073
C 3.090245 2.940774 -1.517047
C 6.011420 0.887051 -0.036415
H -3.693214 -1.751903 -0.769379
H -4.879361 -1.294040 0.505771
H -2.965623 -2.169986 2.209693
H -4.105368 -3.275512 1.456067
H 1.034776 -3.422003 -2.075674
H -0.225210 -2.233402 -1.764704
H 1.097411 -3.595413 0.667227
H -0.057848 -4.529901 -0.336312
H -0.733113 -1.871301 0.921120
H 0.042852 2.289985 -0.944515
H -2.886545 3.199878 3.056223
H 0.528785 -0.022284 -1.750155
H 0.339488 4.364969 0.411271
H -1.103157 4.820118 2.382454
H 3.193027 -3.109897 -0.314544
H 4.950655 -1.434777 0.078956
H 3.888419 2.652109 -2.208425
H 3.492931 3.127417 -0.514594
H 2.517632 3.793133 -1.896305
H 6.513864 1.862086 -0.010645
H 6.004668 0.424502 0.954804
H 6.461674 0.233182 -0.788722


%chk=000296143-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000296143

0 1
O -1.756518 -0.077330 -1.304675
O -4.104760 0.551959 2.727265
O -2.489160 -3.850878 -0.842582
O 2.083957 1.917153 -1.592403
O 4.455916 1.416203 -0.146870
N -3.082965 -0.070402 0.669931
N -0.739822 -3.129946 0.508446
C -3.804296 -1.337652 0.485345
C -3.074017 -2.546059 1.137977
C -1.621569 1.728345 0.414688
C -2.349104 1.930298 1.614761
C -2.100283 0.457378 -0.221031
C -3.289441 0.781561 1.798370
C 0.810042 -2.881375 -1.491548
C 0.287209 -3.771366 -0.330696
C -2.082081 -3.219823 0.182215
C 1.769106 -1.767043 -1.087039
C -0.623268 2.623831 0.002945
C -2.122512 3.047927 2.431117
C 1.529348 -0.428815 -1.489882
C -0.384137 3.755160 0.827989
C -1.125447 3.970083 2.016851
C 2.956799 -2.038222 -0.363994
C 2.437335 0.607202 -1.192305
C 3.618586 0.323577 -0.442990
C 3.869726 -1.009247 -0.040375
C 3.048102 2.621830 -2.464462
C 5.638221 1.152691 0.676695
H -3.930994 -1.520735 -0.595581
H -4.795923 -1.209614 0.951328
H -2.612914 -2.230619 2.091685
H -3.835026 -3.311240 1.375488
H 1.321214 -3.556988 -2.208229
H -0.064063 -2.462590 -2.019795
H 1.118825 -4.094707 0.322130
H -0.183434 -4.670716 -0.765195
H -0.448381 -2.541084 1.289637
H -0.021160 2.445417 -0.893917
H -2.693748 3.193163 3.353409
H 0.617219 -0.171825 -2.039155
H 0.396160 4.468650 0.542856
H -0.917943 4.854783 2.628626
H 3.191424 -3.065618 -0.059362
H 4.774926 -1.254503 0.523701
H 3.203578 2.052557 -3.401127
H 4.008849 2.770827 -1.944290
H 2.577192 3.590765 -2.692167
H 6.118658 2.133195 0.810455
H 5.354777 0.738224 1.663494
H 6.338794 0.460117 0.170558


