%chk=000219618.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000219618

0 1
O 1.732454 0.869270 2.028665
O -0.393590 2.442620 -0.374279
O 0.115056 -2.152657 -0.107064
N 0.209196 0.182357 -0.331440
C 1.680744 0.385105 -0.378342
C 2.309668 0.053011 1.005674
C 2.314327 -0.491453 -1.473421
C 3.831179 0.258531 0.967039
C 3.833317 -0.288324 -1.506344
C 4.466583 -0.587947 -0.140466
C -0.717660 1.287046 -0.279703
C -0.444780 -1.087816 -0.142121
C -2.069200 0.655016 -0.112112
C -1.907570 -0.756355 -0.029870
C -3.315155 1.237882 -0.033642
C -2.991603 -1.591104 0.131466
C -4.431255 0.382788 0.132147
C -4.273570 -0.995713 0.212664
H 1.852250 1.471534 -0.615549
H 2.035641 -0.974907 1.341620
H 1.871177 -0.249860 -2.457597
H 2.075662 -1.561554 -1.288649
H 4.258290 -0.008051 1.953649
H 4.071377 1.328194 0.820252
H 4.072246 0.747715 -1.815206
H 4.278054 -0.944860 -2.278826
H 4.352220 -1.664347 0.097706
H 5.556148 -0.399559 -0.179010
H 1.836050 1.821620 1.833024
H -3.442649 2.319328 -0.094553
H -2.871725 -2.673237 0.196976
H -5.427356 0.823220 0.198335
H -5.145825 -1.638391 0.342176


%chk=000219618-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000219618

0 1
O 1.638665 0.840377 2.049438
O -0.341787 2.439301 -0.335236
O 0.070939 -2.249813 -0.107295
N 0.212011 0.124144 -0.338216
C 1.676162 0.307874 -0.387115
C 2.305623 0.040011 1.008428
C 2.350365 -0.538469 -1.495748
C 3.825978 0.296911 0.964188
C 3.875165 -0.277869 -1.520849
C 4.512934 -0.547053 -0.137101
C -0.686313 1.231716 -0.268058
C -0.468377 -1.114800 -0.159019
C -2.052086 0.643442 -0.105932
C -1.922161 -0.764331 -0.041198
C -3.303463 1.269336 -0.008081
C -3.039613 -1.595650 0.122329
C -4.441792 0.437299 0.156365
C -4.311825 -0.973291 0.220378
H 1.816979 1.384941 -0.619919
H 2.102037 -1.002149 1.309041
H 1.895334 -0.285589 -2.472014
H 2.153345 -1.609421 -1.307803
H 4.251118 0.076783 1.960442
H 4.002521 1.376020 0.764411
H 4.069692 0.774337 -1.815211
H 4.346081 -0.917660 -2.290897
H 4.414619 -1.623580 0.109318
H 5.595885 -0.321625 -0.162649
H 1.732941 1.802047 1.822031
H -3.391042 2.359272 -0.054479
H -2.926307 -2.682923 0.175023
H -5.436112 0.889222 0.238351
H -5.207813 -1.589709 0.350274


