%chk=000247389.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000247389

0 1
O -2.281066 -3.052168 -1.059711
N -0.746966 0.148719 0.021749
C 0.647977 0.306980 -0.500318
C 1.752494 -0.053372 0.523388
C -1.137687 1.034182 1.160340
C 0.847460 1.746360 -1.032099
C -1.150662 -1.277748 0.164888
C 3.104250 -0.306578 -0.155837
C -0.773370 0.514671 2.561827
C -2.651224 1.292070 1.066409
C 0.020644 2.017001 -2.284953
C -1.879065 -1.675499 -1.133892
C 4.194230 -0.641534 0.859773
H 0.730857 -0.399939 -1.370908
H 1.852368 0.750088 1.276599
H 1.453200 -0.956842 1.089640
H -0.604928 2.015519 1.001694
H 1.922296 1.906382 -1.248376
H 0.583292 2.480795 -0.242404
H -1.829002 -1.420972 1.032141
H -0.293538 -1.964326 0.337636
H 3.403050 0.584409 -0.744575
H 3.009123 -1.133579 -0.887254
H -1.110985 1.213045 3.334987
H -1.238760 -0.452207 2.778147
H 0.307421 0.393163 2.682277
H -2.925299 1.614721 0.053796
H -2.960611 2.074866 1.764829
H -3.238219 0.395721 1.287513
H 0.110616 3.059897 -2.605025
H 0.331821 1.383009 -3.122081
H -1.043698 1.812521 -2.101843
H -1.210095 -1.659315 -2.013330
H -2.757278 -1.037776 -1.328751
H 4.344370 0.173983 1.576086
H 5.154485 -0.823052 0.363755
H 3.948125 -1.541503 1.434750
H -2.968927 -3.174193 -0.380369


%chk=000247389-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000247389

0 1
O -2.344822 -2.981956 -1.336505
N -0.676378 0.103266 0.140629
C 0.680968 0.275728 -0.448285
C 1.846337 0.022784 0.562803
C -1.101618 0.990598 1.253560
C 0.828836 1.640541 -1.177908
C -1.208636 -1.268999 0.104018
C 3.229604 -0.198472 -0.093824
C -0.845457 0.433457 2.686880
C -2.590165 1.392122 1.098392
C -0.167836 1.828591 -2.339199
C -1.936205 -1.569683 -1.229141
C 4.317452 -0.591340 0.929759
H 0.762186 -0.510660 -1.229735
H 1.911360 0.870129 1.277031
H 1.594576 -0.878403 1.159785
H -0.500456 1.914466 1.150337
H 1.863657 1.720592 -1.563287
H 0.712407 2.465950 -0.445976
H -1.926082 -1.414383 0.936524
H -0.414282 -2.037237 0.243643
H 3.549399 0.717139 -0.629087
H 3.142503 -0.994550 -0.862250
H -1.123393 1.189674 3.445425
H -1.455023 -0.468647 2.884027
H 0.215365 0.170022 2.834923
H -2.762872 1.853998 0.110711
H -2.890405 2.109716 1.885091
H -3.251514 0.508533 1.184460
H -0.076477 2.834221 -2.789662
H 0.009241 1.083598 -3.138631
H -1.203377 1.694315 -1.980554
H -1.255437 -1.416734 -2.082648
H -2.800583 -0.882862 -1.345609
H 4.444663 0.196273 1.696650
H 5.296755 -0.746947 0.440446
H 4.048896 -1.528013 1.454026
H -3.006488 -3.179328 -0.626322


