%chk=000258256.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000258256

0 1
O -1.676386 -0.229552 1.955125
O -3.388817 1.318728 -1.636501
O -1.452090 -2.398247 -1.795343
O -4.143396 -0.673839 -0.865732
O -1.251876 -2.134164 0.444898
N 0.441359 0.628208 -0.254373
N 3.266050 0.791132 0.335030
C -1.032010 0.865427 -0.170409
C 1.024284 -0.083945 0.927672
C 1.201830 1.901612 -0.483638
C 2.483904 -0.455946 0.609840
C 2.667951 1.546462 -0.809166
C -1.725571 -0.215877 -1.055169
C -1.603770 0.954954 1.207167
C 4.685958 0.704630 0.394236
C -3.218261 0.045117 -1.141504
C -1.458395 -1.652426 -0.638888
C -2.093029 2.009640 1.941130
C 5.310699 -0.284904 1.190513
C 5.495243 1.677551 -0.238695
C -2.500103 1.476604 3.215845
C -2.235233 0.131276 3.181753
C 6.694661 -0.286810 1.347851
C 6.878185 1.657376 -0.067903
C 7.489419 0.677888 0.720249
C -4.759801 1.798851 -1.833328
C -1.316829 -3.852018 -1.677256
C -5.341903 1.189613 -3.090186
C -2.624876 -4.448740 -1.205094
H -1.274937 1.851795 -0.679413
H 0.431249 -1.009731 1.127093
H 0.980707 0.525642 1.858143
H 1.165650 2.586224 0.392782
H 0.759555 2.438282 -1.349656
H 2.521835 -1.158970 -0.251982
H 2.922253 -0.981748 1.489013
H 3.240866 2.488038 -0.971429
H 2.714503 0.958891 -1.753747
H -1.294812 -0.094066 -2.098569
H -2.172977 3.037808 1.648536
H 4.712559 -1.039536 1.697461
H 5.043640 2.456168 -0.849134
H -2.926809 2.046114 4.018009
H -2.353309 -0.696877 3.845073
H 7.162043 -1.051967 1.967605
H 7.488845 2.415594 -0.557827
H 8.567346 0.667110 0.845509
H -5.346914 1.557440 -0.929069
H -4.584906 2.887256 -1.913097
H -1.062877 -4.118726 -2.719388
H -0.475201 -4.069939 -0.996803
H -4.673877 1.319288 -3.951380
H -5.507777 0.107833 -2.968853
H -6.307878 1.641752 -3.345287
H -2.833195 -4.177536 -0.158248
H -3.473299 -4.080162 -1.798316
H -2.618180 -5.542278 -1.269548


%chk=000258256-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000258256

0 1
O -1.884265 -0.174921 1.975730
O -3.468805 1.224511 -1.623347
O -1.678619 -2.406088 -2.091071
O -4.050233 -0.852740 -0.727014
O -0.864130 -2.304980 0.088084
N 0.526175 0.605600 -0.183292
N 3.372850 0.757039 0.333811
C -0.957692 0.789637 -0.169685
C 1.120311 -0.103940 0.983408
C 1.275917 1.862818 -0.420698
C 2.583485 -0.452395 0.675471
C 2.754737 1.562112 -0.734926
C -1.659539 -0.251832 -1.117477
C -1.588091 0.961408 1.191317
C 4.783317 0.748154 0.471732
C -3.181681 -0.047448 -1.121038
C -1.342354 -1.735685 -0.912919
C -1.921364 2.103283 1.908556
C 5.410524 0.061960 1.558665
C 5.632301 1.453281 -0.437109
C -2.447054 1.676929 3.188862
C -2.411205 0.293172 3.190202
C 6.808063 0.091191 1.726971
C 7.031151 1.482555 -0.251431
C 7.637722 0.803716 0.828202
C -4.914849 1.615629 -1.658919
C -1.588017 -3.899578 -2.058778
C -5.573763 1.129718 -2.952229
C -2.858129 -4.498891 -1.448938
H -1.156290 1.755535 -0.671685
H 0.552059 -1.027507 1.169514
H 1.083275 0.533349 1.899204
H 1.229369 2.543017 0.466556
H 0.838990 2.392018 -1.288155
H 2.608652 -1.176906 -0.170012
H 3.019172 -0.948251 1.556046
H 3.286460 2.526143 -0.817781
H 2.815062 1.044458 -1.721291
H -1.304044 -0.005541 -2.134700
H -1.811683 3.128458 1.558281
H 4.804344 -0.474397 2.295256
H 5.211140 1.963158 -1.308278
H -2.806469 2.313357 3.995043
H -2.700769 -0.474719 3.901830
H 7.251843 -0.440233 2.577305
H 7.650756 2.032193 -0.970214
H 8.723747 0.825119 0.965632
H -5.410818 1.191898 -0.768294
H -4.886360 2.714987 -1.592852
H -1.463630 -4.172700 -3.118800
H -0.689107 -4.183307 -1.483324
H -5.035047 1.510117 -3.837156
H -5.593599 0.027925 -2.991256
H -6.616433 1.495532 -2.998263
H -2.960896 -4.204359 -0.391695
H -3.754050 -4.158621 -1.995207
H -2.811139 -5.602636 -1.502240


