%chk=000299527.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000299527

0 1
O 1.202855 1.997536 -1.665360
O 6.164974 0.502100 0.199895
O 5.580582 -1.791332 0.384103
O -4.970232 1.437088 0.357543
O -5.707909 -1.365302 0.028313
N 0.097065 1.529801 0.384155
C 1.394400 1.930567 -0.241112
C -0.265387 0.147855 0.162973
C 2.489386 0.895084 -0.085911
C 0.709368 -0.826942 -0.055139
C 2.133587 -0.461692 0.004416
C -1.666642 -0.185720 0.121282
C 3.834592 1.335074 -0.039501
C -2.035592 -1.535774 -0.125379
C 3.132534 -1.460886 0.177986
C 0.304396 -2.166816 -0.335722
C -0.007846 1.940767 1.815899
C 4.784482 0.354712 0.117255
C 4.434234 -1.025535 0.226311
C -1.019902 -2.515937 -0.355454
C -2.692106 0.794418 0.299687
C -3.417898 -1.896520 -0.176326
C -4.016073 0.428828 0.252082
C -4.387654 -0.939176 0.005931
C 6.705403 -0.849980 0.356038
C 0.251650 2.985574 -2.114201
C -5.792913 1.334025 1.552839
C -6.553336 -0.751757 -0.984616
H 1.686033 2.938315 0.139069
H 4.096130 2.385187 -0.138591
H 2.875590 -2.513256 0.267336
H 1.073914 -2.914698 -0.536379
H -0.948515 1.565457 2.253032
H -0.033698 3.041270 1.869008
H 0.822123 1.571673 2.439844
H -1.322600 -3.542248 -0.558134
H -2.423191 1.842416 0.451691
H -3.701299 -2.931480 -0.364803
H 7.209887 -0.901761 1.329555
H 7.311319 -1.077048 -0.531096
H 0.570824 3.987063 -1.818014
H -0.748424 2.754956 -1.732011
H 0.290494 2.861307 -3.203143
H -6.277457 0.352130 1.603325
H -6.521737 2.137283 1.402322
H -5.174654 1.517860 2.435175
H -7.548517 -1.111338 -0.702990
H -6.257182 -1.126608 -1.968304
H -6.488355 0.341864 -0.939479


%chk=000299527-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000299527

0 1
O 1.310468 2.153206 -1.591458
O 6.282285 0.412768 0.220714
O 5.691521 -1.908720 0.309498
O -4.992898 1.449546 0.305799
O -5.776194 -1.349050 0.066577
N 0.203877 1.428291 0.477149
C 1.454451 1.866530 -0.144134
C -0.229967 0.101507 0.229712
C 2.546698 0.829543 -0.020778
C 0.746466 -0.903323 -0.016519
C 2.177901 -0.548318 0.025312
C -1.641168 -0.226206 0.192612
C 3.902258 1.250389 0.039105
C -2.037630 -1.609429 0.019397
C 3.204286 -1.543027 0.132800
C 0.311344 -2.251490 -0.243310
C -0.298448 2.228638 1.613470
C 4.875011 0.257742 0.120739
C 4.524762 -1.110804 0.167578
C -1.030961 -2.607185 -0.195862
C -2.675752 0.762355 0.281529
C -3.428632 -1.942782 -0.013908
C -4.026666 0.414893 0.249941
C -4.414686 -0.963534 0.091775
C 6.822431 -0.967768 0.101416
C 0.308638 3.190024 -1.864657
C -5.861140 1.408758 1.506190
C -6.526692 -0.867315 -1.117877
H 1.749224 2.811909 0.364100
H 4.166823 2.310311 -0.003986
H 2.971245 -2.606650 0.211055
H 1.057384 -3.023067 -0.457813
H -1.031789 1.644882 2.189638
H -0.780394 3.171971 1.287777
H 0.534151 2.485573 2.298305
H -1.337145 -3.646785 -0.355231
H -2.436856 1.825711 0.351656
H -3.738512 -2.984027 -0.153294
H 7.572652 -1.128595 0.890003
H 7.226072 -1.108396 -0.919638
H 0.549570 4.136771 -1.332925
H -0.706825 2.857423 -1.573767
H 0.343488 3.360353 -2.951821
H -6.386120 0.439510 1.579859
H -6.581788 2.230532 1.375794
H -5.256286 1.578904 2.417576
H -7.562028 -1.209556 -0.968019
H -6.110026 -1.318277 -2.038579
H -6.487696 0.234669 -1.188103


