%chk=000180073.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000180073

0 1
O 3.251231 -0.266973 0.743358
O 5.756260 1.773020 -1.911589
O 6.856896 0.230235 0.279777
O 2.987199 1.316699 -2.574770
O 4.653650 -2.136486 2.713123
O 0.621263 -1.831639 -1.247496
O -2.181934 -1.462165 -1.844543
O -5.634496 -1.560029 -0.325480
O -4.864122 -0.003733 -1.729441
N 1.322787 0.181400 -0.380041
N -0.954514 -0.484777 -0.152402
C 5.006677 0.754015 -1.278484
C 5.473102 0.527013 0.182704
C 3.486651 1.072457 -1.276091
C 4.650084 -0.627800 0.809176
C 2.731204 -0.117800 -0.608446
C 4.925001 -0.794231 2.310936
C -3.417030 -0.740831 0.135170
C 0.351764 -0.812436 -0.654669
C -3.451646 -1.944769 1.110405
C -2.162666 -0.942395 -0.761183
C -3.386990 0.613201 0.832669
C -4.657900 -0.705101 -0.769539
C -3.364676 -3.297003 0.413408
C -3.285007 1.770953 0.038173
C -3.456417 0.742430 2.224943
C -3.239412 3.031994 0.631496
C -3.410388 2.010448 2.816338
C -3.298602 3.155250 2.024731
H 5.237604 -0.127311 -1.924482
H 5.381948 1.459603 0.788523
H 3.274489 2.035109 -0.753501
H 4.807660 -1.590515 0.275091
H 2.857143 -1.078596 -1.169206
H 4.323873 -0.089062 2.913056
H 6.007390 -0.672585 2.532070
H 1.105680 1.033283 0.128733
H 5.627681 2.645696 -1.477972
H 7.156753 -0.361906 -0.444204
H 3.216254 0.593131 -3.201021
H -2.620331 -1.848754 1.837628
H -4.398602 -1.897916 1.692597
H -1.020237 0.124716 0.670128
H 3.694032 -2.329417 2.619076
H -4.184592 -3.434291 -0.306834
H -2.424861 -3.435389 -0.138162
H -3.434972 -4.116169 1.139217
H -3.265627 1.683624 -1.054057
H -3.557105 -0.131686 2.867725
H -3.165691 3.922611 0.006723
H -3.468527 2.100991 3.900888
H -3.265725 4.140905 2.487583
H -6.451808 -1.522025 -0.899830


%chk=000180073-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000180073

0 1
O 3.323011 0.548440 0.983247
O 5.663961 -0.223213 -2.418729
O 6.919323 0.630759 0.005161
O 3.227700 -1.641190 -2.101676
O 4.482508 1.391920 3.460086
O 0.635475 -1.674555 -1.541695
O -2.042202 -0.680322 -2.271244
O -5.739429 -0.316896 -0.949906
O -4.259491 1.269911 -1.750804
N 1.361229 -0.201021 0.125947
N -0.927446 -0.505754 -0.208628
C 5.002309 -0.425977 -1.129202
C 5.473918 0.698476 -0.204514
C 3.473388 -0.453130 -1.298523
C 4.802088 0.519631 1.168231
C 2.803435 -0.513868 0.107729
C 5.107940 1.641657 2.159279
C -3.415312 -0.497463 -0.216401
C 0.392109 -0.843814 -0.616025
C -3.809077 -1.988707 0.065897
C -2.076941 -0.539871 -1.031167
C -3.280333 0.343624 1.086301
C -4.464130 0.241320 -1.075587
C -3.930709 -2.897903 -1.173998
C -2.905787 1.714593 0.988671
C -3.507447 -0.205939 2.373885
C -2.758107 2.506329 2.146473
C -3.358521 0.589807 3.534203
C -2.982075 1.946505 3.426953
H 5.312178 -1.403725 -0.697071
H 5.186212 1.677130 -0.646412
H 3.128346 0.472881 -1.807669
H 5.093694 -0.458115 1.605647
H 2.992173 -1.519289 0.548828
H 4.776598 2.611649 1.730951
H 6.192636 1.677657 2.339724
H 1.125091 0.596120 0.723503
H 5.290339 -0.895302 -3.046718
H 7.336176 0.511981 -0.888092
H 2.229045 -1.799034 -2.135595
H -3.051347 -2.413476 0.753495
H -4.776248 -1.979102 0.599604
H -1.075718 -0.203978 0.759814
H 3.514518 1.247501 3.299846
H -4.687230 -2.515243 -1.879248
H -2.977506 -2.996333 -1.719365
H -4.247011 -3.907417 -0.854518
H -2.753290 2.161402 -0.000831
H -3.808468 -1.250708 2.485924
H -2.475606 3.560294 2.049459
H -3.541680 0.147085 4.519392
H -2.870531 2.561693 4.326367
H -6.383360 0.237977 -1.468996


