%chk=000182094.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000182094

0 1
O 0.245344 -2.312547 1.709694
O -0.872912 -3.543436 -0.223154
O -0.191824 -2.020744 -1.757417
N -1.429220 2.684863 -0.084798
N 0.634574 -0.371650 0.571121
C -2.223550 0.319513 0.465242
C -1.180154 1.451888 0.734923
C 0.219058 0.980010 0.501034
C -1.711431 -0.977401 1.146588
C -0.316482 -1.461957 0.708875
C 1.284215 1.792492 0.166316
C -3.573588 0.742793 1.103694
C -0.351760 3.695832 0.188249
C -2.414241 0.120919 -1.016892
C 1.113567 3.248612 -0.066576
C -1.543627 2.411933 -1.557456
C 2.025054 -0.408239 0.288208
C 2.449307 0.945281 0.035632
C -2.128502 1.075018 -1.904588
C -0.413815 -2.297243 -0.614686
C -4.707297 -0.255690 0.898665
C 2.919147 -1.489383 0.254824
C 3.798022 1.187251 -0.263955
C 4.243557 -1.207168 -0.047750
C 4.678537 0.114301 -0.306063
C -1.009194 -4.561421 -1.249220
H -1.272525 1.769804 1.812499
H -1.675353 -0.819559 2.248102
H -2.447695 -1.792628 0.993848
H -3.862100 1.725390 0.667811
H -3.431899 0.928869 2.185626
H -0.462261 3.994678 1.254496
H -0.575953 4.600932 -0.413687
H -2.823533 -0.840120 -1.318940
H 1.793972 3.829505 0.588347
H 1.417685 3.491749 -1.105687
H -0.561440 2.500232 -2.082363
H -2.203041 3.219374 -1.958193
H -2.287003 0.924632 -2.973952
H -4.931356 -0.400210 -0.165252
H -4.478482 -1.237164 1.327158
H -5.628636 0.101213 1.375494
H -0.198152 -3.198026 1.728303
H 2.576947 -2.496655 0.476012
H 4.136275 2.202102 -0.456821
H 4.971920 -2.015904 -0.086331
H 5.727729 0.283002 -0.538785
H -1.426694 -4.127497 -2.164744
H -1.690400 -5.286001 -0.791773
H -0.019989 -4.990147 -1.437978


%chk=000182094-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000182094

0 1
O 0.276886 -2.381770 1.797036
O -0.999112 -3.488236 -0.318821
O 0.101430 -1.952566 -1.689211
N -1.425352 2.608340 -0.218626
N 0.661565 -0.355925 0.649328
C -2.238262 0.297874 0.504896
C -1.199232 1.442540 0.691727
C 0.224679 0.978359 0.525465
C -1.660956 -0.964544 1.217952
C -0.257356 -1.464934 0.766793
C 1.281587 1.804088 0.173868
C -3.568069 0.721794 1.220425
C -0.430673 3.676310 0.094090
C -2.489077 0.057344 -0.974751
C 1.077404 3.273336 -0.121763
C -1.428602 2.244437 -1.660246
C 2.046795 -0.391564 0.368008
C 2.458599 0.958836 0.070246
C -2.144693 0.944583 -1.938669
C -0.334811 -2.271973 -0.572814
C -4.775980 -0.214955 1.010507
C 2.956134 -1.468259 0.370233
C 3.818554 1.211946 -0.243604
C 4.301238 -1.188550 0.047615
C 4.728736 0.135900 -0.257224
C -1.141716 -4.400110 -1.481561
H -1.338314 1.835061 1.722374
H -1.550583 -0.739706 2.297442
H -2.363091 -1.812243 1.123612
H -3.816963 1.735283 0.852901
H -3.360734 0.813415 2.307578
H -0.581177 3.953150 1.154648
H -0.670307 4.566211 -0.517184
H -2.988465 -0.881763 -1.253172
H 1.703936 3.913971 0.530663
H 1.397782 3.493885 -1.160916
H -0.396394 2.146766 -2.079641
H -1.917024 3.070607 -2.215792
H -2.338030 0.716434 -2.994614
H -5.066063 -0.264085 -0.054080
H -4.573617 -1.245309 1.358583
H -5.649888 0.156586 1.575982
H -0.206376 -3.244755 1.696024
H 2.635087 -2.479018 0.634717
H 4.156562 2.229700 -0.469877
H 5.032742 -2.004647 0.041278
H 5.782511 0.316841 -0.498278
H -1.685587 -3.891258 -2.294611
H -1.708425 -5.260560 -1.099824
H -0.146497 -4.705464 -1.845011


